NiC16N2H14O5NiC17H13(NO3)2(CH)9C2OC9H8O4 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of thirty-six 02329_fluka molecules; four 1,3-dimethoxy-2,2-bis(methoxymethyl)propane molecules; four dimethyl ether molecules; two NiC16N2H14O5 clusters; and two NiC17H13(NO3)2 clusters. In each NiC16N2H14O5 cluster, Ni(1) is bonded in an octahedral geometry to one N(1), one N(6), one O(1), one O(3), one O(7), and one O(9) atom. The Ni(1)-N(1) bond length is 2.06 Å. The Ni(1)-N(6) bond length is 2.04 Å. The Ni(1)-O(1) bond length is 2.08 Å. The Ni(1)-O(3) bond length is 2.02 Å. The Ni(1)-O(7) bond length is 2.21 Å. The Ni(1)-O(9) bond length is 2.14 Å. There are sixteen inequivalent C sites. In the first C site, C(103) is bonded in a bent 120 degrees geometry to one C(29,30); one O(7); and one O(9) atom. The C(103)-C(29,30) bond length is 1.49 Å. The C(103)-O(7) bond length is 1.26 Å. The C(103)-O(9) bond length is 1.30 Å. In the second C site, C(39,40) is bonded in a distorted single-bond geometry to one C(29,30) and one H(23,24) atom. The C(39,40)-C(29,30) bond length is 1.40 Å. The C(39,40)-H(23,24) bond length is 1.09 Å. In the third C site, C(55) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(33,34) atom. The C(55)-N(1) bond length is 1.34 Å. The C(55)-H(33,34) bond length is 1.09 Å. In the fourth C site, C(63) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(39,40) atom. The C(63)-N(1) bond length is 1.35 Å. The C(63)-H(39,40) bond length is 1.09 Å. In the fifth C site, C(1,2) is bonded in a distorted bent 120 degrees geometry to one C(3), one O(3), and one O(5) atom. The C(1,2)-C(3) bond length is 1.50 Å. The C(1,2)-O(3) bond length is 1.29 Å. The C(1,2)-O(5) bond length is 1.26 Å. In the sixth C site, C(66) is bonded in a distorted trigonal planar geometry to one C(67,68); one N(6); and one H(41,42) atom. The C(66)-C(67,68) bond length is 1.39 Å. The C(66)-N(6) bond length is 1.34 Å. The C(66)-H(41,42) bond length is 1.09 Å. In the seventh C site, C(3) is bonded in a trigonal planar geometry to one C(1,2); one C(13,14); and one C(5,6) atom. The C(3)-C(13,14) bond length is 1.40 Å. The C(3)-C(5,6) bond length is 1.40 Å. In the eighth C site, C(67,68) is bonded in a distorted single-bond geometry to one C(65) and one H(43,44) atom. The C(67,68)-C(65) bond length is 1.39 Å. The C(67,68)-H(43,44) bond length is 1.09 Å. In the ninth C site, C(5,6) is bonded in a distorted single-bond geometry to one C(3) and one H(1,2) atom. The C(5,6)-H(1,2) bond length is 1.09 Å. In the tenth C site, C(71,72) is bonded in a distorted single-bond geometry to one C(73) and one H(45) atom. The C(71,72)-C(73) bond length is 1.39 Å. The C(71,72)-H(45) bond length is 1.09 Å. In the eleventh C site, C(74) is bonded in a distorted trigonal planar geometry to one C(71,72); one N(6); and one H(47,48) atom. The C(74)-C(71,72) bond length is 1.39 Å. The C(74)-N(6) bond length is 1.35 Å. The C(74)-H(47,48) bond length is 1.09 Å. In the twelfth C site, C(11,12) is bonded in a distorted single-bond geometry to one C(13,14) and one H(5,6) atom. The C(11,12)-C(13,14) bond length is 1.39 Å. The C(11,12)-H(5,6) bond length is 1.09 Å. In the thirteenth C site, C(13,14) is bonded in a distorted trigonal planar geometry to one C(11,12); one C(3); and one H(7,8) atom. The C(13,14)-H(7,8) bond length is 1.09 Å. In the fourteenth C site, C(29,30) is bonded in a trigonal planar geometry to one C(103); one C(31,32); and one C(39,40) atom. The C(29,30)-C(31,32) bond length is 1.40 Å. In the fifteenth C site, C(31,32) is bonded in a distorted trigonal planar geometry to one C(29,30); one C(33,34); and one H(17,18) atom. The C(31,32)-C(33,34) bond length is 1.39 Å. The C(31,32)-H(17,18) bond length is 1.09 Å. In the sixteenth C site, C(33,34) is bonded in a distorted single-bond geometry to one C(31,32) and one H(19,20) atom. The C(33,34)-H(19,20) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(55), and one C(63) atom. In the second N site, N(6) is bonded in a trigonal planar geometry to one Ni(1), one C(66), and one C(74) atom. There are fourteen inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(5,6) atom. In the second H site, H(5,6) is bonded in a single-bond geometry to one C(11,12) atom. In the third H site, H(7,8) is bonded in a single-bond geometry to one C(13,14) atom. In the fourth H site, H(81) is bonded in a distorted linear geometry to one O(1) and one O(5) atom. The H(81)-O(1) bond length is 1.02 Å. The H(81)-O(5) bond length is 1.58 Å. In the fifth H site, H(17,18) is bonded in a single-bond geometry to one C(31,32) atom. In the sixth H site, H(19,20) is bonded in a single-bond geometry to one C(33,34) atom. In the seventh H site, H(87) is bonded in a single-bond geometry to one O(1) and one O(9) atom. The H(87)-O(1) bond length is 0.99 Å. The H(87)-O(9) bond length is 1.72 Å. In the eighth H site, H(23,24) is bonded in a single-bond geometry to one C(39,40) atom. In the ninth H site, H(33,34) is bonded in a single-bond geometry to one C(55) atom. In the tenth H site, H(39,40) is bonded in a single-bond geometry to one C(63) atom. In the eleventh H site, H(41,42) is bonded in a single-bond geometry to one C(65) atom. The H(41,42)-C(65) bond length is 1.09 Å. In the twelfth H site, H(43,44) is bonded in a single-bond geometry to one C(67,68) atom. In the thirteenth H site, H(46) is bonded in a single-bond geometry to one C(71,72) atom. The H(46)-C(71,72) bond length is 1.09 Å. In the fourteenth H site, H(47,48) is bonded in a single-bond geometry to one C(73) atom. The H(47,48)-C(73) bond length is 1.09 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Ni(1), one H(81), and one H(87) atom. In the second O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(1,2) atom. In the third O site, O(5) is bonded in a water-like geometry to one C(1,2) and one H(81) atom. In the fourth O site, O(7) is bonded in a distorted L-shaped geometry to one Ni(1) and one C(103) atom. In the fifth O site, O(9) is bonded in a 3-coordinate geometry to one Ni(1), one C(103), and one H(87) atom. In each NiC17H13(NO3)2 cluster, Ni(3) is bonded in an octahedral geometry to one N(3), one N(8), one O(11), one O(15), one O(17), and one O(19) atom. The Ni(3)-N(3) bond length is 2.01 Å. The Ni(3)-N(8) bond length is 2.06 Å. The Ni(3)-O(11) bond length is 2.02 Å. The Ni(3)-O(15) bond length is 2.30 Å. The Ni(3)-O(17) bond length is 2.09 Å. The Ni(3)-O(19) bond length is 2.07 Å. There are seventeen inequivalent C sites. In the first C site, C(45,46) is bonded in a distorted single-bond geometry to one C(47) and one H(27,28) atom. The C(45,46)-C(47) bond length is 1.40 Å. The C(45,46)-H(27,28) bond length is 1.09 Å. In the second C site, C(47) is bonded in a trigonal planar geometry to one C(45,46); one C(49,50); and one C(53) atom. The C(47)-C(49,50) bond length is 1.40 Å. The C(47)-C(53) bond length is 1.50 Å. In the third C site, C(49,50) is bonded in a distorted single-bond geometry to one C(47) and one H(29,30) atom. The C(49,50)-H(29,30) bond length is 1.09 Å. In the fourth C site, C(53) is bonded in a distorted bent 120 degrees geometry to one C(47), one O(11), and one O(13) atom. The C(53)-O(11) bond length is 1.28 Å. The C(53)-O(13) bond length is 1.27 Å. In the fifth C site, C(9) is bonded in a distorted single-bond geometry to one O(23) atom. The C(9)-O(23) bond length is 1.39 Å. In the sixth C site, C(75) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(49,50) atom. The C(75)-N(3) bond length is 1.34 Å. The C(75)-H(49,50) bond length is 1.09 Å. In the seventh C site, C(15) is bonded in a distorted single-bond geometry to one C(17), one C(25), and one O(23) atom. The C(15)-C(17) bond length is 1.40 Å. The C(15)-C(25) bond length is 1.40 Å. The C(15)-O(23) bond length is 1.38 Å. In the eighth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(15), one C(19), and one H(9) atom. The C(17)-C(19) bond length is 1.39 Å. The C(17)-H(9) bond length is 1.09 Å. In the ninth C site, C(19) is bonded in a distorted trigonal planar geometry to one C(17), one C(21), and one H(11) atom. The C(19)-C(21) bond length is 1.40 Å. The C(19)-H(11) bond length is 1.09 Å. In the tenth C site, C(83) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(55,56) atom. The C(83)-N(3) bond length is 1.35 Å. The C(83)-H(55,56) bond length is 1.09 Å. In the eleventh C site, C(21) is bonded in a trigonal planar geometry to one C(19), one C(23), and one C(27) atom. The C(21)-C(23) bond length is 1.40 Å. The C(21)-C(27) bond length is 1.49 Å. In the twelfth C site, C(86) is bonded in a distorted bent 120 degrees geometry to one N(8) and one H(57,58) atom. The C(86)-N(8) bond length is 1.35 Å. The C(86)-H(57,58) bond length is 1.09 Å. In the thirteenth C site, C(23) is bonded in a distorted trigonal planar geometry to one C(21); one C(25); and one H(13,14) atom. The C(23)-C(25) bond length is 1.39 Å. The C(23)-H(13,14) bond length is 1.09 Å. In the fourteenth C site, C(25) is bonded in a distorted trigonal planar geometry to one C(15), one C(23), and one H(15) atom. The C(25)-H(15) bond length is 1.09 Å. In the fifteenth C site, C(27) is bonded in a bent 120 degrees geometry to one C(21), one O(15), and one O(17) atom. The C(27)-O(15) bond length is 1.28 Å. The C(27)-O(17) bond length is 1.28 Å. In the sixteenth C site, C(91,92) is bonded in a distorted single-bond geometry to one C(93) and one H(61,62) atom. The C(91,92)-C(93) bond length is 1.39 Å. The C(91,92)-H(61,62) bond length is 1.09 Å. In the seventeenth C site, C(94) is bonded in a distorted trigonal planar geometry to one C(91,92); one N(8); and one H(63,64) atom. The C(94)-C(91,92) bond length is 1.39 Å. The C(94)-N(8) bond length is 1.34 Å. The C(94)-H(63,64) bond length is 1.09 Å. There are two inequivalent N sites. In the first N site, N(3) is bonded in a trigonal planar geometry to one Ni(3), one C(75), and one C(83) atom. In the second N site, N(8) is bonded in a trigonal planar geometry to one Ni(3), one C(86), and one C(94) atom. There are thirteen inequivalent H sites. In the first H site, H(61,62) is bonded in a single-bond geometry to one C(91,92) atom. In the second H site, H(63,64) is bonded in a single-bond geometry to one C(93) atom. The H(63,64)-C(93) bond length is 1.09 Å. In the third H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the fourth H site, H(11) is bonded in a single-bond geometry to one C(19) atom. In the fifth H site, H(13,14) is bonded in a single-bond geometry to one C(23) atom. In the sixth H site, H(15) is bonded in a single-bond geometry to one C(25) atom. In the seventh H site, H(83) is bonded in a distorted linear geometry to one O(13) and one O(19) atom. The H(83)-O(13) bond length is 1.58 Å. The H(83)-O(19) bond length is 1.03 Å. In the eighth H site, H(85) is bonded in a single-bond geometry to one O(15) and one O(19) atom. The H(85)-O(15) bond length is 1.66 Å. The H(85)-O(19) bond length is 1.00 Å. In the ninth H site, H(27,28) is bonded in a single-bond geometry to one C(45,46) atom. In the tenth H site, H(29,30) is bonded in a single-bond geometry to one C(49,50) atom. In the eleventh H site, H(49,50) is bonded in a single-bond geometry to one C(75) atom. In the twelfth H site, H(55,56) is bonded in a single-bond geometry to one C(83) atom. In the thirteenth H site, H(57,58) is bonded in a single-bond geometry to one C(85) atom. The H(57,58)-C(85) bond length is 1.09 Å. There are six inequivalent O sites. In the first O site, O(11) is bonded in a bent 120 degrees geometry to one Ni(3) and one C(53) atom. In the second O site, O(13) is bonded in a water-like geometry to one C(53) and one H(83) atom. In the third O site, O(15) is bonded in a 3-coordinate geometry to one Ni(3), one C(27), and one H(85) atom. In the fourth O site, O(17) is bonded in a distorted L-shaped geometry to one Ni(3) and one C(27) atom. In the fifth O site, O(19) is bonded in a distorted water-like geometry to one Ni(3), one H(83), and one H(85) atom. In the sixth O site, O(23) is bonded in a bent 120 degrees geometry to one C(15) and one C(9) atom. Linkers: 2 O.[O]C(=O)c1ccc(Oc2ccc([C]3O[Ni](O[C]=O)(N4[CH]C=C(OCC(COc5ccncc5)(COc5ccncc5)COc5ccncc5)C=C4)(N4[CH]C=C(OCC(COc5ccncc5)(COc5ccncc5)COc5ccncc5)C=C4)O3)cc2)cc1 ,2 O.[O]C(=O)c1ccc(Oc2ccc([C]3O[Ni](OC(=O)c4ccc(Oc5ccc(C([O])=O)cc5)cc4)(N4[CH]C=C(OCC(COc5ccncc5)(COc5ccncc5)COc5ccncc5)C=C4)(N4[CH]C=C(OCC(COc5ccncc5)(COc5ccncc5)COc5ccncc5)C=C4)O3)cc2)cc1 ,2 O.[CH]=C(/C=C\[N])OCC(COC1=C[CH]N([Ni]2(OC(=O)c3ccc(Oc4ccc(C([O])=O)cc4)cc3)(N3[CH]C=C(OCC(COc4c[c]ncc4)(COc4ccncc4)COc4ccncc4)C=C3)O[C](c3ccc(Oc4c[c]c([C][O])cc4)cc3)O2)C=C1)(COc1ccncc1)COc1ccncc1 ,4 [O]C(=O)c1ccc(Oc2ccc(C([O])=O)cc2)cc1. Metal clusters: 6 O.O=[C]O[Ni]1O[C]O1. The MOF has largest included sphere 5.22 A, density 1.28 g/cm3, surface area 4682.79 m2/g, accessible volume 0.25 cm3/g