(ZnC6N5H3O2)2C4H5C5H6CH crystallizes in the triclinic P1 space group. The structure consists of twelve 02329_fluka molecules, twelve 2-methyl-2-butene molecules, and twelve isobutylene molecules inside a ZnC6N5H3O2 framework. In the ZnC6N5H3O2 framework, there are seventeen inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(1)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(1)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(1)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(1)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the second Zn site, Zn(2,11) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(2,11)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(2,11)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(2,11)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(2,11)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(3)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(3)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(3)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(3)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the fourth Zn site, Zn(4) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(4)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(4)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(4)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(4)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the fifth Zn site, Zn(5) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(5)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(5)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(5)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(5)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the sixth Zn site, Zn(6,7,24) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(6,7,24)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(6,7,24)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(6,7,24)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(6,7,24)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the seventh Zn site, Zn(8) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(8)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(8)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(8)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(8)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the eighth Zn site, Zn(9,13,15,22) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(9,13,15,22)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(9,13,15,22)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(9,13,15,22)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(9,13,15,22)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the ninth Zn site, Zn(10) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(10)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(10)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(10)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(10)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the tenth Zn site, Zn(12) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(12)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(12)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(12)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(12)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the eleventh Zn site, Zn(14) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(14)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(14)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(14)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(14)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the twelfth Zn site, Zn(16,18) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(16,18)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(16,18)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(16,18)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(16,18)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the thirteenth Zn site, Zn(17) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(17)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(17)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(17)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(17)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the fourteenth Zn site, Zn(19) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(19)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(19)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(19)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(19)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the fifteenth Zn site, Zn(20) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(20)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(20)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(20)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(20)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the sixteenth Zn site, Zn(21) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(21)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(21)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(21)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(21)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. In the seventeenth Zn site, Zn(23) is bonded in a tetrahedral geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93); one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94); one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95); and one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atom. The Zn(23)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.96 Å. The Zn(23)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.95 Å. The Zn(23)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.96 Å. The Zn(23)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.99 Å. There are twenty-five inequivalent C sites. In the first C site, C(20,59,68,77,94,103,112,216) is bonded in a distorted bent 120 degrees geometry to one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) and one H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) atom. The C(20,59,68,77,94,103,112,216)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.39 Å. The C(20,59,68,77,94,103,112,216)-H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) bond length is 0.95 Å. In the second C site, C(28,93,156,191) is bonded in a distorted bent 120 degrees geometry to one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) and one H(6,13,17,24,31,38,45,52,59,63,70,77,81,85,89,93,97,104,111,115,119,123,127,131) atom. The C(28,93,156,191)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.36 Å. The C(28,93,156,191)-H(6,13,17,24,31,38,45,52,59,63,70,77,81,85,89,93,97,104,111,115,119,123,127,131) bond length is 0.95 Å. In the third C site, C(34,54,63,81,117,135,196,212) is bonded in a distorted single-bond geometry to one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) atom. The C(34,54,63,81,117,135,196,212)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.38 Å. In the fourth C site, C(39,148,167) is bonded in a distorted bent 120 degrees geometry to one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) and one H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) atom. The C(39,148,167)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.39 Å. The C(39,148,167)-H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) bond length is 0.95 Å. In the fifth C site, C(44,72,126,204) is bonded in a distorted single-bond geometry to one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) atom. The C(44,72,126,204)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.38 Å. In the sixth C site, C(86,121,139,157,176,184,192,200,208) is bonded in a distorted bent 120 degrees geometry to one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) and one H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) atom. The C(86,121,139,157,176,184,192,200,208)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.39 Å. The C(86,121,139,157,176,184,192,200,208)-H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) bond length is 0.95 Å. In the seventh C site, C(217,218,219,220,221,222,223,224,225,226,227,228) is bonded in a trigonal planar geometry to two equivalent N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) and one H(133,134,135,136,137,138,139,140,141,142,143,144) atom. Both C(217,218,219,220,221,222,223,224,225,226,227,228)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond lengths are 1.40 Å. The C(217,218,219,220,221,222,223,224,225,226,227,228)-H(133,134,135,136,137,138,139,140,141,142,143,144) bond length is 0.95 Å. In the eighth C site, C(229,231,238,240) is bonded in a trigonal planar geometry to two equivalent N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) and one H(145,146,147,148,149,150,151,152,153,154,155,156) atom. Both C(229,231,238,240)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond lengths are 1.38 Å. The C(229,231,238,240)-H(145,146,147,148,149,150,151,152,153,154,155,156) bond length is 0.95 Å. In the ninth C site, C(230,239) is bonded in a trigonal planar geometry to two equivalent N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) and one H(145,146,147,148,149,150,151,152,153,154,155,156) atom. Both C(230,239)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond lengths are 1.38 Å. The C(230,239)-H(145,146,147,148,149,150,151,152,153,154,155,156) bond length is 0.95 Å. In the tenth C site, C(232,234,235,237) is bonded in a trigonal planar geometry to two equivalent N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) and one H(145,146,147,148,149,150,151,152,153,154,155,156) atom. Both C(232,234,235,237)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond lengths are 1.38 Å. The C(232,234,235,237)-H(145,146,147,148,149,150,151,152,153,154,155,156) bond length is 0.95 Å. In the eleventh C site, C(233,236) is bonded in a trigonal planar geometry to two equivalent N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) and one H(145,146,147,148,149,150,151,152,153,154,155,156) atom. Both C(233,236)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond lengths are 1.38 Å. The C(233,236)-H(145,146,147,148,149,150,151,152,153,154,155,156) bond length is 0.95 Å. In the twelfth C site, C(241,242,244,246,247,248,251,252) is bonded in a trigonal planar geometry to one N(97,98,99,100,101,102,103,104,105,106,107,108) and two equivalent N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) atoms. The C(241,242,244,246,247,248,251,252)-N(97,98,99,100,101,102,103,104,105,106,107,108) bond length is 1.40 Å. Both C(241,242,244,246,247,248,251,252)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond lengths are 1.30 Å. In the thirteenth C site, C(243,250) is bonded in a trigonal planar geometry to one N(97,98,99,100,101,102,103,104,105,106,107,108) and two equivalent N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) atoms. The C(243,250)-N(97,98,99,100,101,102,103,104,105,106,107,108) bond length is 1.40 Å. Both C(243,250)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond lengths are 1.30 Å. In the fourteenth C site, C(245,249) is bonded in a trigonal planar geometry to one N(97,98,99,100,101,102,103,104,105,106,107,108) and two equivalent N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) atoms. The C(245,249)-N(97,98,99,100,101,102,103,104,105,106,107,108) bond length is 1.40 Å. Both C(245,249)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond lengths are 1.30 Å. In the fifteenth C site, C(253,255) is bonded in a trigonal planar geometry to one N(109,110,111,112,113,114,115,116,117,118,119,120) and two equivalent N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atoms. The C(253,255)-N(109,110,111,112,113,114,115,116,117,118,119,120) bond length is 1.45 Å. Both C(253,255)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond lengths are 1.31 Å. In the sixteenth C site, C(254,261) is bonded in a trigonal planar geometry to one N(109,110,111,112,113,114,115,116,117,118,119,120) and two equivalent N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atoms. The C(254,261)-N(109,110,111,112,113,114,115,116,117,118,119,120) bond length is 1.45 Å. Both C(254,261)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond lengths are 1.31 Å. In the seventeenth C site, C(256) is bonded in a trigonal planar geometry to one N(109,110,111,112,113,114,115,116,117,118,119,120) and two equivalent N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atoms. The C(256)-N(109,110,111,112,113,114,115,116,117,118,119,120) bond length is 1.45 Å. Both C(256)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond lengths are 1.31 Å. In the eighteenth C site, C(1,11,21,30,40,50,60,69,78,87,95,104,113,122,131,140,149,158,168,177,185,193,201,209) is bonded in a distorted single-bond geometry to one N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) atom. The C(1,11,21,30,40,50,60,69,78,87,95,104,113,122,131,140,149,158,168,177,185,193,201,209)-N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) bond length is 1.36 Å. In the nineteenth C site, C(130) is bonded in a distorted bent 120 degrees geometry to one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) and one H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) atom. The C(130)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.39 Å. The C(130)-H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) bond length is 0.95 Å. In the twentieth C site, C(257) is bonded in a trigonal planar geometry to one N(109,110,111,112,113,114,115,116,117,118,119,120) and two equivalent N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atoms. The C(257)-N(109,110,111,112,113,114,115,116,117,118,119,120) bond length is 1.45 Å. Both C(257)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond lengths are 1.31 Å. In the twenty-first C site, C(258,259,260,262,263,264) is bonded in a trigonal planar geometry to one N(109,110,111,112,113,114,115,116,117,118,119,120) and two equivalent N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) atoms. The C(258,259,260,262,263,264)-N(109,110,111,112,113,114,115,116,117,118,119,120) bond length is 1.45 Å. Both C(258,259,260,262,263,264)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond lengths are 1.31 Å. In the twenty-second C site, C(5,25,90,107,144,162,171,188) is bonded in a distorted single-bond geometry to one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) atom. The C(5,25,90,107,144,162,171,188)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.38 Å. In the twenty-third C site, C(9,19,38,48,58,67,76,85,102,111,120,129,138,147,166,175,183,199,207,215) is bonded in a distorted bent 120 degrees geometry to one N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) and one H(6,13,17,24,31,38,45,52,59,63,70,77,81,85,89,93,97,104,111,115,119,123,127,131) atom. The C(9,19,38,48,58,67,76,85,102,111,120,129,138,147,166,175,183,199,207,215)-N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) bond length is 1.36 Å. The C(9,19,38,48,58,67,76,85,102,111,120,129,138,147,166,175,183,199,207,215)-H(6,13,17,24,31,38,45,52,59,63,70,77,81,85,89,93,97,104,111,115,119,123,127,131) bond length is 0.95 Å. In the twenty-fourth C site, C(10,29,49) is bonded in a distorted bent 120 degrees geometry to one N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) and one H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) atom. The C(10,29,49)-N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) bond length is 1.39 Å. The C(10,29,49)-H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) bond length is 0.95 Å. In the twenty-fifth C site, C(15,98,153,180) is bonded in a distorted single-bond geometry to one N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) atom. The C(15,98,153,180)-N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) bond length is 1.38 Å. There are six inequivalent N sites. In the first N site, N(97,98,99,100,101,102,103,104,105,106,107,108) is bonded in a trigonal planar geometry to one C(241,242,244,246,247,248,251,252) and two equivalent O(1,3,5,7,11,13,15,19,21,23,25,27,31,33,35,37,39,41,45,47) atoms. Both N(97,98,99,100,101,102,103,104,105,106,107,108)-O(1,3,5,7,11,13,15,19,21,23,25,27,31,33,35,37,39,41,45,47) bond lengths are 1.26 Å. In the second N site, N(109,110,111,112,113,114,115,116,117,118,119,120) is bonded in a trigonal planar geometry to one C(253,255) and two equivalent O(2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48) atoms. Both N(109,110,111,112,113,114,115,116,117,118,119,120)-O(2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48) bond lengths are 1.24 Å. In the third N site, N(1,5,9,13,17,21,25,29,33,37,41,45,49,53,57,61,65,69,73,77,81,85,89,93) is bonded in a trigonal planar geometry to one Zn(1); one C(1,11,21,30,40,50,60,69,78,87,95,104,113,122,131,140,149,158,168,177,185,193,201,209); and one C(217,218,219,220,221,222,223,224,225,226,227,228) atom. In the fourth N site, N(2,6,10,14,18,22,26,30,34,38,42,46,50,54,58,62,66,70,74,78,82,86,90,94) is bonded in a trigonal planar geometry to one Zn(1); one C(229,231,238,240); and one C(5,25,90,107,144,162,171,188) atom. In the fifth N site, N(3,7,11,15,19,23,27,31,35,39,43,47,51,55,59,63,67,71,75,79,83,87,91,95) is bonded in a distorted trigonal planar geometry to one Zn(1); one C(241,242,244,246,247,248,251,252); and one C(9,19,38,48,58,67,76,85,102,111,120,129,138,147,166,175,183,199,207,215) atom. In the sixth N site, N(4,8,12,16,20,24,28,32,36,40,44,48,52,56,60,64,68,72,76,80,84,88,92,96) is bonded in a trigonal planar geometry to one Zn(1); one C(10,29,49); and one C(253,255) atom. There are four inequivalent H sites. In the first H site, H(133,134,135,136,137,138,139,140,141,142,143,144) is bonded in a single-bond geometry to one C(217,218,219,220,221,222,223,224,225,226,227,228) atom. In the second H site, H(6,13,17,24,31,38,45,52,59,63,70,77,81,85,89,93,97,104,111,115,119,123,127,131) is bonded in a single-bond geometry to one C(9,19,38,48,58,67,76,85,102,111,120,129,138,147,166,175,183,199,207,215) atom. In the third H site, H(7,14,18,25,32,39,46,53,60,64,71,78,82,86,90,94,98,105,112,116,120,124,128,132) is bonded in a single-bond geometry to one C(10,29,49) atom. In the fourth H site, H(145,146,147,148,149,150,151,152,153,154,155,156) is bonded in a single-bond geometry to one C(229,231,238,240) atom. There are three inequivalent O sites. In the first O site, O(9,17,29,43) is bonded in a single-bond geometry to one N(97,98,99,100,101,102,103,104,105,106,107,108) atom. The O(9,17,29,43)-N(97,98,99,100,101,102,103,104,105,106,107,108) bond length is 1.26 Å. In the second O site, O(1,3,5,7,11,13,15,19,21,23,25,27,31,33,35,37,39,41,45,47) is bonded in a single-bond geometry to one N(97,98,99,100,101,102,103,104,105,106,107,108) atom. In the third O site, O(2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48) is bonded in a single-bond geometry to one N(109,110,111,112,113,114,115,116,117,118,119,120) atom. Linkers: 14 Cc1ccc2c(c1)N=C[N]2 ,10 Cc1ccc2c(c1)[N]C=N2 ,14 O=[N+]([O-])C1=NC=C[N]1 ,10 O=[N+]([O-])C1=N[CH]C=N1. Metal clusters: 24 [Zn]. The MOF has largest included sphere 7.83 A, density 1.08 g/cm3, surface area 4571.52 m2/g, accessible volume 0.57 cm3/g