NiC8PN3H7O3Cl crystallizes in the triclinic P-1 space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent N(1), two equivalent O(1), and two equivalent Cl(1) atoms to form NiN2Cl2O2 octahedra that share corners with two equivalent Ni(2)N2Cl2O2 octahedra and corners with two equivalent P(1)CO3 tetrahedra. The corner-sharing octahedral tilt angles are 81°. Both Ni(1)-N(1) bond lengths are 2.02 Å. Both Ni(1)-O(1) bond lengths are 2.13 Å. Both Ni(1)-Cl(1) bond lengths are 2.43 Å. In the second Ni site, Ni(2) is bonded to two equivalent N(2), two equivalent O(2), and two equivalent Cl(1) atoms to form NiN2Cl2O2 octahedra that share corners with two equivalent Ni(1)N2Cl2O2 octahedra and corners with two equivalent P(1)CO3 tetrahedra. The corner-sharing octahedral tilt angles are 81°. Both Ni(2)-N(2) bond lengths are 2.01 Å. Both Ni(2)-O(2) bond lengths are 2.05 Å. Both Ni(2)-Cl(1) bond lengths are 2.45 Å. There are eight inequivalent C sites. In the first C site, C(1) is bonded in a trigonal planar geometry to one C(2), one C(3), and one P(1) atom. The C(1)-C(2) bond length is 1.40 Å. The C(1)-C(3) bond length is 1.40 Å. The C(1)-P(1) bond length is 1.82 Å. In the second C site, C(2) is bonded in a distorted single-bond geometry to one C(1), one C(4), and one H(2) atom. The C(2)-C(4) bond length is 1.39 Å. The C(2)-H(2) bond length is 1.09 Å. In the third C site, C(3) is bonded in a distorted single-bond geometry to one C(1) and one H(3) atom. The C(3)-H(3) bond length is 1.09 Å. In the fourth C site, C(4) is bonded in a distorted trigonal planar geometry to one C(2), one C(6), and one H(4) atom. The C(4)-C(6) bond length is 1.40 Å. The C(4)-H(4) bond length is 1.09 Å. In the fifth C site, C(5) is bonded in a distorted single-bond geometry to one C(6) and one H(5) atom. The C(5)-C(6) bond length is 1.40 Å. The C(5)-H(5) bond length is 1.09 Å. In the sixth C site, C(6) is bonded in a distorted trigonal planar geometry to one C(4), one C(5), and one N(3) atom. The C(6)-N(3) bond length is 1.43 Å. In the seventh C site, C(7) is bonded in a trigonal planar geometry to one N(1), one N(3), and one H(6) atom. The C(7)-N(1) bond length is 1.32 Å. The C(7)-N(3) bond length is 1.37 Å. The C(7)-H(6) bond length is 1.08 Å. In the eighth C site, C(8) is bonded in a trigonal planar geometry to one N(2), one N(3), and one H(7) atom. The C(8)-N(2) bond length is 1.31 Å. The C(8)-N(3) bond length is 1.37 Å. The C(8)-H(7) bond length is 1.08 Å. P(1) is bonded to one C(1), one O(1), one O(2), and one O(3) atom to form PCO3 tetrahedra that share  a cornercorner with one Ni(1)N2Cl2O2 octahedra and  a cornercorner with one Ni(2)N2Cl2O2 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(2) bond length is 1.51 Å. The P(1)-O(3) bond length is 1.57 Å. There are three inequivalent N sites. In the first N site, N(1) is bonded in a distorted trigonal planar geometry to one Ni(1), one C(7), and one N(2) atom. The N(1)-N(2) bond length is 1.37 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one Ni(2), one C(8), and one N(1) atom. In the third N site, N(3) is bonded in a trigonal planar geometry to one C(6), one C(7), and one C(8) atom. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(3) atom. The H(1)-O(1) bond length is 1.52 Å. The H(1)-O(3) bond length is 1.03 Å. 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(3) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(5) 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(8) atom. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Ni(1), one P(1), and one H(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Ni(2) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(1) atom. Cl(1) is bonded in a water-like geometry to one Ni(1) and one Ni(2) atom. Linkers: 2 [O]P(=O)(O)c1ccc(-n2cnnc2)cc1. Metal clusters: 2 [Ni]. The MOF has largest included sphere 2.76 A, density 1.87 g/cm3, surface area 3195.91 m2/g, accessible volume 0.16 cm3/g