Zn2C25N8 crystallizes in the orthorhombic Pnma space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a tetrahedral geometry to one N(1), one N(12), one N(15), and one N(24) atom. The Zn(1)-N(1) bond length is 1.98 Å. The Zn(1)-N(12) bond length is 1.97 Å. The Zn(1)-N(15) bond length is 1.96 Å. The Zn(1)-N(24) bond length is 1.97 Å. In the second Zn site, Zn(2) is bonded in a tetrahedral geometry to one N(13), one N(2), one N(21), and one N(3) atom. The Zn(2)-N(13) bond length is 2.02 Å. The Zn(2)-N(2) bond length is 1.99 Å. The Zn(2)-N(21) bond length is 2.00 Å. The Zn(2)-N(3) bond length is 1.97 Å. In the third Zn site, Zn(3) is bonded in a tetrahedral geometry to one N(16), one N(18), one N(4), and one N(5) atom. The Zn(3)-N(16) bond length is 2.03 Å. The Zn(3)-N(18) bond length is 2.03 Å. The Zn(3)-N(4) bond length is 2.02 Å. The Zn(3)-N(5) bond length is 2.01 Å. In the fourth Zn site, Zn(4) is bonded in a tetrahedral geometry to one N(19), one N(20), one N(6), and one N(7) atom. The Zn(4)-N(19) bond length is 2.01 Å. The Zn(4)-N(20) bond length is 1.94 Å. The Zn(4)-N(6) bond length is 2.06 Å. The Zn(4)-N(7) bond length is 2.02 Å. In the fifth Zn site, Zn(5) is bonded in a tetrahedral geometry to one N(14), one N(17), one N(8), and one N(9) atom. The Zn(5)-N(14) bond length is 2.05 Å. The Zn(5)-N(17) bond length is 1.95 Å. The Zn(5)-N(8) bond length is 2.01 Å. The Zn(5)-N(9) bond length is 1.98 Å. In the sixth Zn site, Zn(6) is bonded in a tetrahedral geometry to one N(10), one N(11), one N(22), and one N(23) atom. The Zn(6)-N(10) bond length is 1.95 Å. The Zn(6)-N(11) bond length is 2.01 Å. The Zn(6)-N(22) bond length is 1.95 Å. The Zn(6)-N(23) bond length is 1.98 Å. There are seventy-six inequivalent C sites. In the first C site, C(1) is bonded in a water-like geometry to one N(1) and one N(2) atom. The C(1)-N(1) bond length is 1.32 Å. The C(1)-N(2) bond length is 1.36 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(3), one C(7), and one N(1) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-C(7) bond length is 1.39 Å. The C(2)-N(1) bond length is 1.38 Å. In the third C site, C(3) is bonded in a bent 120 degrees geometry to one C(2) and one C(4) atom. The C(3)-C(4) bond length is 1.39 Å. In the fourth C site, C(4) is bonded in a bent 120 degrees geometry to one C(3) and one C(5) atom. The C(4)-C(5) bond length is 1.39 Å. In the fifth C site, C(5) is bonded in a trigonal planar geometry to one C(4), one C(6), and one C(8) atom. The C(5)-C(6) bond length is 1.39 Å. The C(5)-C(8) bond length is 1.62 Å. In the sixth C site, C(6) is bonded in a bent 120 degrees geometry to one C(5) and one C(7) atom. The C(6)-C(7) bond length is 1.39 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(2), one C(6), and one N(2) atom. The C(7)-N(2) bond length is 1.33 Å. In the eighth C site, C(8) is bonded in a single-bond geometry to one C(5) atom. In the ninth C site, C(9) is bonded in a water-like geometry to one N(3) and one N(4) atom. The C(9)-N(3) bond length is 1.34 Å. The C(9)-N(4) bond length is 1.40 Å. In the tenth C site, C(10) is bonded in a distorted single-bond geometry to one C(11), one C(15), and one N(3) atom. The C(10)-C(11) bond length is 1.39 Å. The C(10)-C(15) bond length is 1.39 Å. The C(10)-N(3) bond length is 1.34 Å. In the eleventh C site, C(11) is bonded in a bent 120 degrees geometry to one C(10) and one C(12) atom. The C(11)-C(12) bond length is 1.39 Å. In the twelfth C site, C(12) is bonded in a trigonal planar geometry to one C(11), one C(13), and one C(16) atom. The C(12)-C(13) bond length is 1.39 Å. The C(12)-C(16) bond length is 1.62 Å. In the thirteenth C site, C(13) is bonded in a bent 120 degrees geometry to one C(12) and one C(14) atom. The C(13)-C(14) bond length is 1.39 Å. In the fourteenth C site, C(14) is bonded in a bent 120 degrees geometry to one C(13) and one C(15) atom. The C(14)-C(15) bond length is 1.39 Å. In the fifteenth C site, C(15) is bonded in a distorted single-bond geometry to one C(10), one C(14), and one N(4) atom. The C(15)-N(4) bond length is 1.30 Å. In the sixteenth C site, C(16) is bonded in a single-bond geometry to one C(12) atom. In the seventeenth C site, C(17) is bonded in a water-like geometry to one N(5) and one N(6) atom. The C(17)-N(5) bond length is 1.40 Å. The C(17)-N(6) bond length is 1.41 Å. In the eighteenth C site, C(18) is bonded in a 3-coordinate geometry to one C(19), one C(23), and one N(5) atom. The C(18)-C(19) bond length is 1.39 Å. The C(18)-C(23) bond length is 1.38 Å. The C(18)-N(5) bond length is 1.40 Å. In the nineteenth C site, C(19) is bonded in a bent 120 degrees geometry to one C(18) and one C(20) atom. The C(19)-C(20) bond length is 1.39 Å. In the twentieth C site, C(20) is bonded in a 4-coordinate geometry to one C(19), one C(21), one C(38), and one C(42) atom. The C(20)-C(21) bond length is 1.40 Å. The C(20)-C(38) bond length is 1.99 Å. The C(20)-C(42) bond length is 1.90 Å. In the twenty-first C site, C(21) is bonded in a 4-coordinate geometry to one C(20), one C(22), one C(24), and one C(43) atom. The C(21)-C(22) bond length is 1.39 Å. The C(21)-C(24) bond length is 1.61 Å. The C(21)-C(43) bond length is 1.77 Å. In the twenty-second C site, C(22) is bonded in a bent 120 degrees geometry to one C(21) and one C(23) atom. The C(22)-C(23) bond length is 1.39 Å. In the twenty-third C site, C(23) is bonded in a 3-coordinate geometry to one C(18), one C(22), and one N(6) atom. The C(23)-N(6) bond length is 1.38 Å. In the twenty-fourth C site, C(24) is bonded in a distorted trigonal planar geometry to one C(21), one C(35), and one C(43) atom. The C(24)-C(35) bond length is 1.77 Å. The C(24)-C(43) bond length is 1.60 Å. In the twenty-fifth C site, C(25) is bonded in a water-like geometry to one N(7) and one N(8) atom. The C(25)-N(7) bond length is 1.33 Å. The C(25)-N(8) bond length is 1.38 Å. In the twenty-sixth C site, C(26) is bonded in a distorted L-shaped geometry to one C(27) and one N(8) atom. The C(26)-C(27) bond length is 1.46 Å. The C(26)-N(8) bond length is 1.64 Å. In the twenty-seventh C site, C(27) is bonded in a distorted single-bond geometry to one C(26) and one N(7) atom. The C(27)-N(7) bond length is 1.45 Å. In the twenty-eighth C site, C(28) is bonded in a bent 120 degrees geometry to one N(10) and one N(9) atom. The C(28)-N(10) bond length is 1.30 Å. The C(28)-N(9) bond length is 1.36 Å. In the twenty-ninth C site, C(29) is bonded in a single-bond geometry to one N(9) atom. The C(29)-N(9) bond length is 1.41 Å. In the thirtieth C site, C(30) is bonded in a single-bond geometry to one N(10) atom. The C(30)-N(10) bond length is 1.48 Å. In the thirty-first C site, C(31) is bonded in a water-like geometry to one N(11) and one N(12) atom. The C(31)-N(11) bond length is 1.45 Å. The C(31)-N(12) bond length is 1.35 Å. In the thirty-second C site, C(32) is bonded in a distorted trigonal planar geometry to one C(33), one C(37), and one N(12) atom. The C(32)-C(33) bond length is 1.39 Å. The C(32)-C(37) bond length is 1.39 Å. The C(32)-N(12) bond length is 1.39 Å. In the thirty-third C site, C(33) is bonded in a bent 120 degrees geometry to one C(32) and one C(34) atom. The C(33)-C(34) bond length is 1.39 Å. In the thirty-fourth C site, C(34) is bonded in a 4-coordinate geometry to one C(33), one C(35), one C(38), and one C(42) atom. The C(34)-C(35) bond length is 1.39 Å. The C(34)-C(38) bond length is 1.62 Å. The C(34)-C(42) bond length is 1.71 Å. In the thirty-fifth C site, C(35) is bonded in a 4-coordinate geometry to one C(24), one C(34), one C(36), and one C(43) atom. The C(35)-C(36) bond length is 1.39 Å. The C(35)-C(43) bond length is 1.66 Å. In the thirty-sixth C site, C(36) is bonded in a bent 120 degrees geometry to one C(35) and one C(37) atom. The C(36)-C(37) bond length is 1.39 Å. In the thirty-seventh C site, C(37) is bonded in a distorted trigonal planar geometry to one C(32), one C(36), and one N(11) atom. The C(37)-N(11) bond length is 1.42 Å. In the thirty-eighth C site, C(38) is bonded in a 3-coordinate geometry to one C(20), one C(34), and one C(42) atom. The C(38)-C(42) bond length is 1.75 Å. In the thirty-ninth C site, C(39) is bonded in a water-like geometry to one N(13) and one N(14) atom. The C(39)-N(13) bond length is 1.32 Å. The C(39)-N(14) bond length is 1.39 Å. In the fortieth C site, C(40) is bonded in a distorted single-bond geometry to one C(41), one C(45), and one N(13) atom. The C(40)-C(41) bond length is 1.39 Å. The C(40)-C(45) bond length is 1.39 Å. The C(40)-N(13) bond length is 1.35 Å. In the forty-first C site, C(41) is bonded in a bent 120 degrees geometry to one C(40) and one C(42) atom. The C(41)-C(42) bond length is 1.39 Å. In the forty-second C site, C(42) is bonded in a 5-coordinate geometry to one C(20), one C(34), one C(38), one C(41), and one C(43) atom. The C(42)-C(43) bond length is 1.39 Å. In the forty-third C site, C(43) is bonded in a 5-coordinate geometry to one C(21), one C(24), one C(35), one C(42), and one C(44) atom. The C(43)-C(44) bond length is 1.39 Å. In the forty-fourth C site, C(44) is bonded in a bent 120 degrees geometry to one C(43) and one C(45) atom. The C(44)-C(45) bond length is 1.39 Å. In the forty-fifth C site, C(45) is bonded in a distorted single-bond geometry to one C(40), one C(44), and one N(14) atom. The C(45)-N(14) bond length is 1.35 Å. In the forty-sixth C site, C(46) is bonded in a distorted single-bond geometry to one C(47), one C(74), and one N(15) atom. The C(46)-C(47) bond length is 1.62 Å. The C(46)-C(74) bond length is 1.41 Å. The C(46)-N(15) bond length is 1.26 Å. In the forty-seventh C site, C(47) is bonded in a 2-coordinate geometry to one C(46) and one C(74) atom. The C(47)-C(74) bond length is 1.30 Å. In the forty-eighth C site, C(48) is bonded in a bent 120 degrees geometry to one N(16) and one N(17) atom. The C(48)-N(16) bond length is 1.32 Å. The C(48)-N(17) bond length is 1.34 Å. In the forty-ninth C site, C(49) is bonded in a distorted single-bond geometry to one C(50) and one N(17) atom. The C(49)-C(50) bond length is 1.39 Å. The C(49)-N(17) bond length is 1.33 Å. In the fiftieth C site, C(50) is bonded in a bent 120 degrees geometry to one C(49) and one C(51) atom. The C(50)-C(51) bond length is 1.40 Å. In the fifty-first C site, C(51) is bonded in a bent 120 degrees geometry to one C(50) and one C(52) atom. The C(51)-C(52) bond length is 1.38 Å. In the fifty-second C site, C(52) is bonded in a distorted trigonal planar geometry to one C(51), one C(53), and one C(55) atom. The C(52)-C(53) bond length is 1.39 Å. The C(52)-C(55) bond length is 1.59 Å. In the fifty-third C site, C(53) is bonded in a bent 120 degrees geometry to one C(52) and one C(54) atom. The C(53)-C(54) bond length is 1.38 Å. In the fifty-fourth C site, C(54) is bonded in a distorted single-bond geometry to one C(53) and one N(16) atom. The C(54)-N(16) bond length is 1.41 Å. In the fifty-fifth C site, C(55) is bonded in a bent 120 degrees geometry to one C(52) and one C(67) atom. The C(55)-C(67) bond length is 1.55 Å. In the fifty-sixth C site, C(56) is bonded in a water-like geometry to one N(18) and one N(19) atom. The C(56)-N(18) bond length is 1.29 Å. The C(56)-N(19) bond length is 1.37 Å. In the fifty-seventh C site, C(57) is bonded in a single-bond geometry to one N(18) atom. The C(57)-N(18) bond length is 1.52 Å. In the fifty-eighth C site, C(58) is bonded in a single-bond geometry to one N(19) atom. The C(58)-N(19) bond length is 1.42 Å. In the fifty-ninth C site, C(59) is bonded in a bent 120 degrees geometry to one N(20) and one N(21) atom. The C(59)-N(20) bond length is 1.33 Å. The C(59)-N(21) bond length is 1.38 Å. In the sixtieth C site, C(60) is bonded in a distorted single-bond geometry to one C(61) and one N(21) atom. The C(60)-C(61) bond length is 1.39 Å. The C(60)-N(21) bond length is 1.33 Å. In the sixty-first C site, C(61) is bonded in a bent 120 degrees geometry to one C(60) and one C(62) atom. The C(61)-C(62) bond length is 1.40 Å. In the sixty-second C site, C(62) is bonded in a trigonal planar geometry to one C(61), one C(63), and one C(66) atom. The C(62)-C(63) bond length is 1.38 Å. The C(62)-C(66) bond length is 1.59 Å. In the sixty-third C site, C(63) is bonded in a trigonal planar geometry to one C(62), one C(64), and one C(67) atom. The C(63)-C(64) bond length is 1.39 Å. The C(63)-C(67) bond length is 1.59 Å. In the sixty-fourth C site, C(64) is bonded in a bent 120 degrees geometry to one C(63) and one C(65) atom. The C(64)-C(65) bond length is 1.39 Å. In the sixty-fifth C site, C(65) is bonded in a distorted single-bond geometry to one C(64) and one N(20) atom. The C(65)-N(20) bond length is 1.38 Å. In the sixty-sixth C site, C(66) is bonded in a single-bond geometry to one C(62) atom. In the sixty-seventh C site, C(67) is bonded in a bent 120 degrees geometry to one C(55) and one C(63) atom. In the sixty-eighth C site, C(68) is bonded in a bent 120 degrees geometry to one N(22) and one N(24) atom. The C(68)-N(22) bond length is 1.31 Å. The C(68)-N(24) bond length is 1.34 Å. In the sixty-ninth C site, C(69) is bonded in a distorted single-bond geometry to one N(22) atom. The C(69)-N(22) bond length is 1.38 Å. In the seventieth C site, C(70) is bonded in a single-bond geometry to one N(24) atom. The C(70)-N(24) bond length is 1.36 Å. In the seventy-first C site, C(71) is bonded in a distorted single-bond geometry to one C(72) and one N(23) atom. The C(71)-C(72) bond length is 1.45 Å. The C(71)-N(23) bond length is 1.41 Å. In the seventy-second C site, C(72) is bonded in a bent 120 degrees geometry to one C(71) and one C(73) atom. The C(72)-C(73) bond length is 1.48 Å. In the seventy-third C site, C(73) is bonded in a bent 120 degrees geometry to one C(72) and one C(73) atom. The C(73)-C(73) bond length is 1.18 Å. In the seventy-fourth C site, C(74) is bonded in a 2-coordinate geometry to one C(46) and one C(47) atom. In the seventy-fifth C site, C(75) is bonded in a water-like geometry to two equivalent N(15) atoms. Both C(75)-N(15) bond lengths are 1.39 Å. In the seventy-sixth C site, C(76) is bonded in a bent 120 degrees geometry to two equivalent N(23) atoms. Both C(76)-N(23) bond lengths are 1.34 Å. There are twenty-four inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Zn(1), one C(1), and one C(2) atom. In the second N site, N(2) is bonded in a trigonal planar geometry to one Zn(2), one C(1), and one C(7) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one Zn(2), one C(10), and one C(9) atom. In the fourth N site, N(4) is bonded in a trigonal planar geometry to one Zn(3), one C(15), and one C(9) atom. In the fifth N site, N(5) is bonded in a distorted trigonal planar geometry to one Zn(3), one C(17), and one C(18) atom. In the sixth N site, N(6) is bonded in a trigonal planar geometry to one Zn(4), one C(17), and one C(23) atom. In the seventh N site, N(7) is bonded in a distorted trigonal planar geometry to one Zn(4), one C(25), and one C(27) atom. In the eighth N site, N(8) is bonded in a trigonal planar geometry to one Zn(5), one C(25), and one C(26) atom. In the ninth N site, N(9) is bonded in a trigonal planar geometry to one Zn(5), one C(28), and one C(29) atom. In the tenth N site, N(10) is bonded in a distorted trigonal planar geometry to one Zn(6), one C(28), and one C(30) atom. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Zn(6), one C(31), and one C(37) atom. In the twelfth N site, N(12) is bonded in a trigonal planar geometry to one Zn(1), one C(31), and one C(32) atom. In the thirteenth N site, N(13) is bonded in a trigonal planar geometry to one Zn(2), one C(39), and one C(40) atom. In the fourteenth N site, N(14) is bonded in a trigonal planar geometry to one Zn(5), one C(39), and one C(45) atom. In the fifteenth N site, N(15) is bonded in a trigonal planar geometry to one Zn(1), one C(46), and one C(75) atom. In the sixteenth N site, N(16) is bonded in a trigonal planar geometry to one Zn(3), one C(48), and one C(54) atom. In the seventeenth N site, N(17) is bonded in a trigonal planar geometry to one Zn(5), one C(48), and one C(49) atom. In the eighteenth N site, N(18) is bonded in a trigonal planar geometry to one Zn(3), one C(56), and one C(57) atom. In the nineteenth N site, N(19) is bonded in a trigonal planar geometry to one Zn(4), one C(56), and one C(58) atom. In the twentieth N site, N(20) is bonded in a trigonal planar geometry to one Zn(4), one C(59), and one C(65) atom. In the twenty-first N site, N(21) is bonded in a trigonal planar geometry to one Zn(2), one C(59), and one C(60) atom. In the twenty-second N site, N(22) is bonded in a trigonal planar geometry to one Zn(6), one C(68), and one C(69) atom. In the twenty-third N site, N(23) is bonded in a trigonal planar geometry to one Zn(6), one C(71), and one C(76) atom. In the twenty-fourth N site, N(24) is bonded in a trigonal planar geometry to one Zn(1), one C(68), and one C(70) atom. Linkers: 1 [C]1C2=C([C][C@@]34[C](C5=[C][C]6N=[C]N=C6[C]=[C]5)[C@@]35[C]C3=N[C]=NC3=[C][C@]53[C][C@@]134)N=[C][N]2 ,1 [C]c1[c]c2c([c]c1[C][C]c1[c][c]c3c([c]1)N=[C][N]3)=N[C]N=2 ,2 [C]C1=C([C][C]C2=[C]C3=N[C]=N[C]3[C]=[C]2)[C]=C2N=[C]N=C2[C]1 ,1 [C]C1=[C][C]2N=[C]N=C2[C]=C1[C][C]C1=[C][C]C2=N[C]=NC2=[C]1 ,1 [C]1C([C]2[C@@]34[C]C5=C([C][C@@]36[C][C@]63[C]C6=C([C][C@@]234)N=[C][N]6)[N][C]=N5)=[C][C]=C2N=[C]N=C12 ,1 [C]c1[c]c2c([c]c1[C][C]C1=[C][C]3N=[C]N=C3[C]=[C]1)=N[C]N=2 ,1 [C]1N=C2[C][C@@]34[C][C@@]35[C]C3=C([C][C@]56[C](c5[c][c]c7c([c]5)=N[C]N=7)[C@]46[C]C2=N1)[N][C]=N3 ,1 [C]1N=C2[C][C@]34[C][C@]35[C]C3=N[C]N=C3[C][C@@]53[C](c5[c][c]c6c([c]5)=N[C]N=6)[C@@]43[C]C2=N1 ,1 [C]1N=C2[C][C@]34[C][C@]35[C]C3=N[C]N=C3[C][C@@]53[C](c5[c][c]c6c([c]5)N=[C][N]6)[C@@]43[C]C2=N1 ,4 [C]C1=[C]C2=N[C]=N[C]2[C]=[C]1 ,1 [C][C]1[C]=[C]C2=N[C]=NC2=[C]1 ,1 [C]1[C]=C2N=[C]N=C2[C]=C1[C]1[C@@]23[C]C4=C([C][C@@]25[C][C@]52[C]C5=C([C][C@@]123)N=[C][N]5)[N][C]=N4 ,3 [C]C1=[C][C]=C2N=[C]N=C2[C]1 ,1 [C]c1[c][c]c2c([c]1)N=[C][N]2 ,1 [C]c1[c]c2c([c]c1[C][C]c1[c][c]c3c([c]1)=N[C]N=3)=N[C]N=2 ,12 [C]1=[C]N=[C][N]1 ,1 [C]1[C]=[C][C]=C2N=[C]N=C12 ,6 [C]1[C]=N[C]=N1 ,2 [C]1=[C][C]2N=[C]N=C2[C]=[C]1 ,1 [C]C1=[C]C2=N[C]=N[C]2[C]=C1[C][C]C1=[C][C]2N=[C]N=C2[C]=[C]1 ,6 [C]1N=[C][C]=N1 ,1 [C]C1=[C][C]2N=[C]N=C2[C]=C1[C][C][C]1[C]=[C]C2=N[C]=NC2=[C]1 ,1 [C]1C([C]2[C@]34[C]C5=N[C]=NC5=[C][C@]35[C][C@@]53[C]C5=N[C]=NC5=[C][C@]234)=[C][C]=C2N=[C]N=C12 ,2 [C]C1=[C][C]2N=[C]N=C2[C]=[C]1 ,8 [C]1[C][N][C][N]1 ,4 [C]1[C]C12[N][C]=NC21[C][C]1 ,3 [C]c1[c][c]c2c([c]1)=N[C]N=2 ,1 [C]1=Nc2[c][c][c][c]c2[N]1 ,1 [C]C1=[C]C2=N[C]=NC2=[C][C]1 ,1 [C]1C2=C([C][C@@]34[C](C5=[C]C6=N[C]=N[C]6[C]=[C]5)[C@@]35[C]C3=C([C][C@]56[C][C@@]164)N=[C][N]3)[N][C]=N2 ,1 [C]C1=[C][C]C2=N[C]=NC2=[C]1. Metal clusters: 48 [Zn]. The MOF has largest included sphere 11.04 A, density 1.04 g/cm3, surface area 4367.63 m2/g, accessible volume 0.57 cm3/g