CdC6P4H20(NO6)2 crystallizes in the monoclinic P2_1 space group. Cd(1) is bonded to one O(11), one O(12), one O(2), one O(6), one O(7), and one O(9) atom to form CdO6 octahedra that share  a cornercorner with one P(1)CO3 tetrahedra,  a cornercorner with one P(2)CO3 tetrahedra, corners with two equivalent P(3)CO3 tetrahedra, and corners with two equivalent P(4)CO3 tetrahedra. The Cd(1)-O(11) bond length is 2.22 Å. The Cd(1)-O(12) bond length is 2.21 Å. The Cd(1)-O(2) bond length is 2.44 Å. The Cd(1)-O(6) bond length is 2.23 Å. The Cd(1)-O(7) bond length is 2.37 Å. The Cd(1)-O(9) bond length is 2.33 Å. There are six inequivalent C sites. In the first C site, C(1) is bonded to one P(1), one P(2), one N(1), and one H(3) atom to form distorted corner-sharing CP2HN tetrahedra. The C(1)-P(1) bond length is 1.86 Å. The C(1)-P(2) bond length is 1.85 Å. The C(1)-N(1) bond length is 1.52 Å. The C(1)-H(3) bond length is 1.10 Å. In the second C site, C(2) is bonded to one N(1), one H(4), one H(5), and one H(6) atom to form CH3N tetrahedra that share  a cornercorner with one C(3)H3N tetrahedra and  a cornercorner with one C(1)P2HN tetrahedra. The C(2)-N(1) bond length is 1.50 Å. The C(2)-H(4) bond length is 1.09 Å. The C(2)-H(5) bond length is 1.09 Å. The C(2)-H(6) bond length is 1.09 Å. In the third C site, C(3) is bonded to one N(1), one H(7), one H(8), and one H(9) atom to form CH3N tetrahedra that share  a cornercorner with one C(2)H3N tetrahedra and  a cornercorner with one C(1)P2HN tetrahedra. The C(3)-N(1) bond length is 1.50 Å. The C(3)-H(7) bond length is 1.09 Å. The C(3)-H(8) bond length is 1.09 Å. The C(3)-H(9) bond length is 1.09 Å. In the fourth C site, C(4) is bonded to one P(3), one P(4), one N(2), and one H(10) atom to form distorted corner-sharing CP2HN tetrahedra. The C(4)-P(3) bond length is 1.87 Å. The C(4)-P(4) bond length is 1.84 Å. The C(4)-N(2) bond length is 1.52 Å. The C(4)-H(10) bond length is 1.10 Å. In the fifth C site, C(5) is bonded to one N(2), one H(11), one H(12), and one H(13) atom to form CH3N tetrahedra that share  a cornercorner with one C(6)H3N tetrahedra and  a cornercorner with one C(4)P2HN tetrahedra. The C(5)-N(2) bond length is 1.50 Å. The C(5)-H(11) bond length is 1.09 Å. The C(5)-H(12) bond length is 1.09 Å. The C(5)-H(13) bond length is 1.09 Å. In the sixth C site, C(6) is bonded to one N(2); one H(16); and two equivalent H(14,15) atoms to form CH3N tetrahedra that share  a cornercorner with one C(5)H3N tetrahedra and  a cornercorner with one C(4)P2HN tetrahedra. The C(6)-N(2) bond length is 1.49 Å. The C(6)-H(16) bond length is 1.09 Å. Both C(6)-H(14,15) bond lengths are 1.09 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one C(1), one O(1), one O(2), and one O(3) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one Cd(1)O6 octahedra,  a cornercorner with one P(2)CO3 tetrahedra, and  a cornercorner with one N(1)HC3 tetrahedra. The corner-sharing octahedral tilt angles are 54°. The P(1)-O(1) bond length is 1.51 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.57 Å. In the second P site, P(2) is bonded to one C(1), one O(4), one O(5), and one O(6) atom to form distorted PCO3 tetrahedra that share  a cornercorner with one Cd(1)O6 octahedra,  a cornercorner with one P(1)CO3 tetrahedra, and  a cornercorner with one N(1)HC3 tetrahedra. The corner-sharing octahedral tilt angles are 28°. The P(2)-O(4) bond length is 1.55 Å. The P(2)-O(5) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.50 Å. In the third P site, P(3) is bonded to one C(4), one O(7), one O(8), and one O(9) atom to form distorted PCO3 tetrahedra that share corners with two equivalent Cd(1)O6 octahedra,  a cornercorner with one P(4)CO3 tetrahedra, and  a cornercorner with one N(2)HC3 tetrahedra. The corner-sharing octahedral tilt angles range from 32-54°. The P(3)-O(7) bond length is 1.55 Å. The P(3)-O(8) bond length is 1.54 Å. The P(3)-O(9) bond length is 1.53 Å. In the fourth P site, P(4) is bonded to one C(4), one O(10), one O(11), and one O(12) atom to form distorted PCO3 tetrahedra that share corners with two equivalent Cd(1)O6 octahedra,  a cornercorner with one P(3)CO3 tetrahedra, and  a cornercorner with one N(2)HC3 tetrahedra. The corner-sharing octahedral tilt angles range from 46-48°. The P(4)-O(10) bond length is 1.59 Å. The P(4)-O(11) bond length is 1.51 Å. The P(4)-O(12) bond length is 1.52 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded to one C(1), one C(2), one C(3), and one H(1) atom to form distorted NHC3 tetrahedra that share  a cornercorner with one P(1)CO3 tetrahedra and  a cornercorner with one P(2)CO3 tetrahedra. The N(1)-H(1) bond length is 1.05 Å. In the second N site, N(2) is bonded to one C(4), one C(5), one C(6), and one H(2) atom to form distorted NHC3 tetrahedra that share  a cornercorner with one P(3)CO3 tetrahedra and  a cornercorner with one P(4)CO3 tetrahedra. The N(2)-H(2) bond length is 1.06 Å. There are nineteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(1) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(1) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(2) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one C(2) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one C(2) atom. In the seventh H site, H(7) is bonded in a single-bond geometry to one C(3) atom. In the eighth H site, H(8) is bonded in a single-bond geometry to one C(3) atom. In the ninth H site, H(9) is bonded in a single-bond geometry to one C(3) atom. In the tenth H site, H(10) is bonded in a single-bond geometry to one C(4) atom. In the eleventh H site, H(11) is bonded in a single-bond geometry to one C(5) atom. In the twelfth H site, H(12) is bonded in a single-bond geometry to one C(5) atom. In the thirteenth H site, H(13) is bonded in a single-bond geometry to one C(5) atom. In the fourteenth H site, H(14,15) is bonded in a single-bond geometry to one C(6) atom. In the fifteenth H site, H(16) is bonded in a single-bond geometry to one C(6) atom. In the sixteenth H site, H(17) is bonded in a linear geometry to one O(3) and one O(7) atom. The H(17)-O(3) bond length is 1.04 Å. The H(17)-O(7) bond length is 1.52 Å. In the seventeenth H site, H(18) is bonded in a linear geometry to one O(1) and one O(5) atom. The H(18)-O(1) bond length is 1.42 Å. The H(18)-O(5) bond length is 1.06 Å. In the eighteenth H site, H(19) is bonded in a linear geometry to one O(4) and one O(8) atom. The H(19)-O(4) bond length is 1.09 Å. The H(19)-O(8) bond length is 1.38 Å. In the nineteenth H site, H(20) is bonded in a linear geometry to one O(10) and one O(2) atom. The H(20)-O(10) bond length is 1.04 Å. The H(20)-O(2) bond length is 1.46 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one H(18) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cd(1), one P(1), and one H(20) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one P(1) and one H(17) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one P(2) and one H(19) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one P(2) and one H(18) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cd(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 120 degrees geometry to one Cd(1), one P(3), and one H(17) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one P(3) and one H(19) atom. In the ninth O site, O(9) is bonded in a 2-coordinate geometry to one Cd(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one P(4) and one H(20) atom. In the eleventh O site, O(11) is bonded in a 2-coordinate geometry to one Cd(1) and one P(4) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to one Cd(1) and one P(4) atom. Linkers: 2 C[NH](C(P(=O)(O)O)P(=O)([O])O)C ,2 C[NH](C(P(=O)(O)[O])P(=O)([O])[O])C. Metal clusters: 2 [Cd]. The MOF has largest included sphere 1.84 A, density 2.23 g/cm3, surface area 3183.67 m2/g, accessible volume 0.09 cm3/g