NiC8N3H7O4CH2 crystallizes in the monoclinic P2_1 space group. The structure consists of four 02329_fluka molecules inside a NiC8N3H7O4 framework. In the NiC8N3H7O4 framework, there are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in an octahedral geometry to one N(1), one N(5), one O(1), one O(3), one O(6), and one O(8) atom. The Ni(1)-N(1) bond length is 2.08 Å. The Ni(1)-N(5) bond length is 2.03 Å. The Ni(1)-O(1) bond length is 2.11 Å. The Ni(1)-O(3) bond length is 2.05 Å. The Ni(1)-O(6) bond length is 1.97 Å. The Ni(1)-O(8) bond length is 2.16 Å. In the second Ni site, Ni(2) is bonded in an octahedral geometry to one N(3), one N(6), one O(2), one O(4), one O(5), and one O(7) atom. The Ni(2)-N(3) bond length is 2.08 Å. The Ni(2)-N(6) bond length is 2.09 Å. The Ni(2)-O(2) bond length is 2.00 Å. The Ni(2)-O(4) bond length is 2.10 Å. The Ni(2)-O(5) bond length is 2.02 Å. The Ni(2)-O(7) bond length is 2.04 Å. There are sixteen inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to one N(1) and one H(1) atom. The C(1)-N(1) bond length is 1.33 Å. The C(1)-H(1) bond length is 0.95 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(3) and one H(2) atom. The C(2)-C(3) bond length is 1.39 Å. The C(2)-H(2) bond length is 0.95 Å. In the third C site, C(3) is bonded in a distorted trigonal planar geometry to one C(2), one C(4), and one N(2) atom. The C(3)-C(4) bond length is 1.39 Å. The C(3)-N(2) bond length is 1.45 Å. In the fourth C site, C(4) is bonded in a distorted single-bond geometry to one C(3), one C(5), and one H(3) atom. The C(4)-C(5) bond length is 1.39 Å. The C(4)-H(3) bond length is 0.95 Å. In the fifth C site, C(5) is bonded in a 3-coordinate geometry to one C(4), one N(1), and one H(4) atom. The C(5)-N(1) bond length is 1.35 Å. The C(5)-H(4) bond length is 0.95 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(7), one N(3), and one H(5) atom. The C(6)-C(7) bond length is 1.39 Å. The C(6)-N(3) bond length is 1.34 Å. The C(6)-H(5) bond length is 0.95 Å. In the seventh C site, C(7) is bonded in a distorted single-bond geometry to one C(6), one C(8), and one H(6) atom. The C(7)-C(8) bond length is 1.39 Å. The C(7)-H(6) bond length is 0.95 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(7), one C(9), and one N(4) atom. The C(8)-C(9) bond length is 1.39 Å. The C(8)-N(4) bond length is 1.46 Å. In the ninth C site, C(9) is bonded in a distorted single-bond geometry to one C(8) and one H(7) atom. The C(9)-H(7) bond length is 0.95 Å. In the tenth C site, C(10) is bonded in a distorted bent 120 degrees geometry to one N(3) and one H(8) atom. The C(10)-N(3) bond length is 1.35 Å. The C(10)-H(8) bond length is 0.95 Å. In the eleventh C site, C(11) is bonded in a distorted bent 120 degrees geometry to one O(1) and one O(2) atom. The C(11)-O(1) bond length is 1.25 Å. The C(11)-O(2) bond length is 1.27 Å. In the twelfth C site, C(13) is bonded in a 2-coordinate geometry to one N(5) and one H(11) atom. The C(13)-N(5) bond length is 1.48 Å. The C(13)-H(11) bond length is 1.00 Å. In the thirteenth C site, C(14) is bonded in a distorted bent 120 degrees geometry to one O(3) and one O(4) atom. The C(14)-O(3) bond length is 1.25 Å. The C(14)-O(4) bond length is 1.24 Å. In the fourteenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one O(5) and one O(6) atom. The C(15)-O(5) bond length is 1.26 Å. The C(15)-O(6) bond length is 1.27 Å. In the fifteenth C site, C(17) is bonded in a 2-coordinate geometry to one N(6) and one H(16) atom. The C(17)-N(6) bond length is 1.51 Å. The C(17)-H(16) bond length is 1.00 Å. In the sixteenth C site, C(18) is bonded in a distorted bent 120 degrees geometry to one O(7) and one O(8) atom. The C(18)-O(7) bond length is 1.24 Å. The C(18)-O(8) bond length is 1.24 Å. There are six inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one Ni(1), one C(1), and one C(5) atom. In the second N site, N(2) is bonded in a distorted water-like geometry to one C(3) and one N(4) atom. The N(2)-N(4) bond length is 1.20 Å. In the third N site, N(3) is bonded in a trigonal planar geometry to one Ni(2), one C(10), and one C(6) atom. In the fourth N site, N(4) is bonded in a distorted water-like geometry to one C(8) and one N(2) atom. In the fifth N site, N(5) is bonded in a distorted tetrahedral geometry to one Ni(1), one C(13), one H(12), and one H(13) atom. The N(5)-H(12) bond length is 0.92 Å. The N(5)-H(13) bond length is 0.92 Å. In the sixth N site, N(6) is bonded in a 2-coordinate geometry to one Ni(2), one C(17), one H(17), and one H(18) atom. The N(6)-H(17) bond length is 0.92 Å. The N(6)-H(18) bond length is 0.92 Å. There are fourteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one C(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(11) is bonded in a single-bond geometry to one C(13) atom. In the tenth H site, H(12) is bonded in a single-bond geometry to one N(5) atom. In the eleventh H site, H(13) is bonded in a single-bond geometry to one N(5) atom. In the twelfth H site, H(16) is bonded in a single-bond geometry to one C(17) atom. In the thirteenth H site, H(17) is bonded in a single-bond geometry to one N(6) atom. In the fourteenth H site, H(18) is bonded in a single-bond geometry to one N(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(11) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one C(11) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Ni(1) and one C(14) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(14) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ni(2) and one C(15) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Ni(1) and one C(15) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one C(18) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Ni(1) and one C(18) atom. Linkers: 4 N[C@@H](CC([O])=O)C([O])=O ,2 c1cc([N][N]c2ccncc2)ccn1. Metal clusters: 4 [Ni]. RCSR code: hcb. The MOF has largest included sphere 4.57 A, density 1.49 g/cm3, surface area 3725.76 m2/g, accessible volume 0.28 cm3/g