NiC20H30(N3O2)2(C3H2)2 is Indium-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of four 2,3-dimethyl-1,3-butadiene molecules and four NiC20H30(N3O2)2 clusters. In each NiC20H30(N3O2)2 cluster, Ni(1) is bonded to one N(1), one N(13), one N(5), one N(9), one O(1), and one O(5) atom to form distorted NiN4O2 octahedra that share  a cornercorner with one C(65)H2N2 tetrahedra,  a cornercorner with one C(69)H2N2 tetrahedra,  a cornercorner with one C(81)H2N2 tetrahedra, and  a cornercorner with one C(89)H2N2 tetrahedra. The Ni(1)-N(1) bond length is 1.97 Å. The Ni(1)-N(13) bond length is 2.01 Å. The Ni(1)-N(5) bond length is 1.97 Å. The Ni(1)-N(9) bond length is 2.02 Å. The Ni(1)-O(1) bond length is 2.45 Å. The Ni(1)-O(5) bond length is 2.51 Å. There are twenty inequivalent C sites. In the first C site, C(9) is bonded in a distorted single-bond geometry to one C(13) and one H(5) atom. The C(9)-C(13) bond length is 1.40 Å. The C(9)-H(5) bond length is 1.09 Å. In the second C site, C(13) is bonded in a trigonal planar geometry to one C(17), one C(25), and one C(9) atom. The C(13)-C(17) bond length is 1.40 Å. The C(13)-C(25) bond length is 1.50 Å. In the third C site, C(17) is bonded in a distorted single-bond geometry to one C(13) and one H(9) atom. The C(17)-H(9) bond length is 1.09 Å. In the fourth C site, C(25) is bonded in a distorted bent 120 degrees geometry to one C(13), one O(5), and one O(9) atom. The C(25)-O(5) bond length is 1.28 Å. The C(25)-O(9) bond length is 1.27 Å. In the fifth C site, C(29) is bonded in a trigonal planar geometry to one C(33), one C(45), and one C(53) atom. The C(29)-C(33) bond length is 1.40 Å. The C(29)-C(45) bond length is 1.40 Å. The C(29)-C(53) bond length is 1.51 Å. In the sixth C site, C(33) is bonded in a distorted single-bond geometry to one C(29) and one H(17) atom. The C(33)-H(17) bond length is 1.09 Å. In the seventh C site, C(45) is bonded in a distorted single-bond geometry to one C(29) and one H(29) atom. The C(45)-H(29) bond length is 1.09 Å. In the eighth C site, C(53) is bonded in a bent 120 degrees geometry to one C(29), one O(1), and one O(13) atom. The C(53)-O(1) bond length is 1.28 Å. The C(53)-O(13) bond length is 1.27 Å. In the ninth C site, C(57) is bonded in a distorted trigonal non-coplanar geometry to one N(17), one H(33), and one H(37) atom. The C(57)-N(17) bond length is 1.48 Å. The C(57)-H(33) bond length is 1.10 Å. The C(57)-H(37) bond length is 1.10 Å. In the tenth C site, C(61) is bonded in a distorted trigonal non-coplanar geometry to one N(9), one H(41), and one H(45) atom. The C(61)-N(9) bond length is 1.49 Å. The C(61)-H(41) bond length is 1.09 Å. The C(61)-H(45) bond length is 1.10 Å. In the eleventh C site, C(65) is bonded to one N(1), one N(17), one H(49), and one H(53) atom to form CH2N2 tetrahedra that share  a cornercorner with one Ni(1)N4O2 octahedra and  a cornercorner with one C(69)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 62°. The C(65)-N(1) bond length is 1.49 Å. The C(65)-N(17) bond length is 1.45 Å. The C(65)-H(49) bond length is 1.10 Å. The C(65)-H(53) bond length is 1.10 Å. In the twelfth C site, C(69) is bonded to one N(17), one N(9), one H(57), and one H(61) atom to form CH2N2 tetrahedra that share  a cornercorner with one Ni(1)N4O2 octahedra and  a cornercorner with one C(65)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 71°. The C(69)-N(17) bond length is 1.44 Å. The C(69)-N(9) bond length is 1.50 Å. The C(69)-H(57) bond length is 1.10 Å. The C(69)-H(61) bond length is 1.11 Å. In the thirteenth C site, C(73) is bonded in a distorted trigonal non-coplanar geometry to one N(1), one H(65), and one H(69) atom. The C(73)-N(1) bond length is 1.48 Å. The C(73)-H(65) bond length is 1.10 Å. The C(73)-H(69) bond length is 1.10 Å. In the fourteenth C site, C(77) is bonded in a distorted trigonal non-coplanar geometry to one N(5), one H(73), and one H(77) atom. The C(77)-N(5) bond length is 1.48 Å. The C(77)-H(73) bond length is 1.10 Å. The C(77)-H(77) bond length is 1.10 Å. In the fifteenth C site, C(81) is bonded to one N(21), one N(5), one H(81), and one H(85) atom to form CH2N2 tetrahedra that share  a cornercorner with one Ni(1)N4O2 octahedra and  a cornercorner with one C(89)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 61°. The C(81)-N(21) bond length is 1.45 Å. The C(81)-N(5) bond length is 1.48 Å. The C(81)-H(81) bond length is 1.10 Å. The C(81)-H(85) bond length is 1.10 Å. In the sixteenth C site, C(85) is bonded in a distorted trigonal non-coplanar geometry to one N(21), one H(89), and one H(93) atom. The C(85)-N(21) bond length is 1.49 Å. The C(85)-H(89) bond length is 1.10 Å. The C(85)-H(93) bond length is 1.10 Å. In the seventeenth C site, C(89) is bonded to one N(13), one N(21), one H(101), and one H(97) atom to form CH2N2 tetrahedra that share  a cornercorner with one Ni(1)N4O2 octahedra and  a cornercorner with one C(81)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 69°. The C(89)-N(13) bond length is 1.50 Å. The C(89)-N(21) bond length is 1.44 Å. The C(89)-H(101) bond length is 1.11 Å. The C(89)-H(97) bond length is 1.09 Å. In the eighteenth C site, C(93) is bonded in a distorted trigonal non-coplanar geometry to one N(13), one H(105), and one H(109) atom. The C(93)-N(13) bond length is 1.49 Å. The C(93)-H(105) bond length is 1.09 Å. The C(93)-H(109) bond length is 1.10 Å. In the nineteenth C site, C(97) is bonded in a distorted trigonal non-coplanar geometry to one N(13), one H(113), and one H(117) atom. The C(97)-N(13) bond length is 1.48 Å. The C(97)-H(113) bond length is 1.10 Å. The C(97)-H(117) bond length is 1.10 Å. In the twentieth C site, C(101) is bonded in a distorted trigonal non-coplanar geometry to one N(9), one H(121), and one H(125) atom. The C(101)-N(9) bond length is 1.48 Å. The C(101)-H(121) bond length is 1.10 Å. The C(101)-H(125) bond length is 1.10 Å. There are six inequivalent N sites. In the first N site, N(13) is bonded to one Ni(1), one C(89), one C(93), and one C(97) atom to form NNiC3 tetrahedra that share  a cornercorner with one N(9)NiC3 tetrahedra,  a cornercorner with one N(1)NiHC2 tetrahedra, and  a cornercorner with one N(5)NiHC2 tetrahedra. In the second N site, N(17) is bonded in a trigonal non-coplanar geometry to one C(57), one C(65), and one C(69) atom. In the third N site, N(21) is bonded in a trigonal non-coplanar geometry to one C(81), one C(85), and one C(89) atom. In the fourth N site, N(1) is bonded to one Ni(1), one C(65), one C(73), and one H(133) atom to form distorted NNiHC2 tetrahedra that share  a cornercorner with one N(13)NiC3 tetrahedra,  a cornercorner with one N(9)NiC3 tetrahedra, and  a cornercorner with one N(5)NiHC2 tetrahedra. The N(1)-H(133) bond length is 1.05 Å. In the fifth N site, N(5) is bonded to one Ni(1), one C(77), one C(81), and one H(129) atom to form distorted NNiHC2 tetrahedra that share  a cornercorner with one N(13)NiC3 tetrahedra,  a cornercorner with one N(9)NiC3 tetrahedra, and  a cornercorner with one N(1)NiHC2 tetrahedra. The N(5)-H(129) bond length is 1.06 Å. In the sixth N site, N(9) is bonded to one Ni(1), one C(101), one C(61), and one C(69) atom to form NNiC3 tetrahedra that share  a cornercorner with one N(13)NiC3 tetrahedra,  a cornercorner with one N(1)NiHC2 tetrahedra, and  a cornercorner with one N(5)NiHC2 tetrahedra. There are thirty inequivalent H sites. In the first H site, H(125) is bonded in a single-bond geometry to one C(101) atom. In the second H site, H(129) is bonded in a single-bond geometry to one N(5) atom. In the third H site, H(133) is bonded in a single-bond geometry to one N(1) atom. In the fourth H site, H(5) is bonded in a single-bond geometry to one C(9) atom. In the fifth H site, H(9) is bonded in a single-bond geometry to one C(17) atom. In the sixth H site, H(17) is bonded in a single-bond geometry to one C(33) atom. In the seventh H site, H(29) is bonded in a single-bond geometry to one C(45) atom. In the eighth H site, H(33) is bonded in a single-bond geometry to one C(57) atom. In the ninth H site, H(37) is bonded in a single-bond geometry to one C(57) atom. In the tenth H site, H(41) is bonded in a single-bond geometry to one C(61) atom. In the eleventh H site, H(45) is bonded in a single-bond geometry to one C(61) atom. In the twelfth H site, H(49) is bonded in a single-bond geometry to one C(65) atom. In the thirteenth H site, H(53) is bonded in a single-bond geometry to one C(65) atom. In the fourteenth H site, H(57) is bonded in a single-bond geometry to one C(69) atom. In the fifteenth H site, H(61) is bonded in a single-bond geometry to one C(69) atom. In the sixteenth H site, H(65) is bonded in a single-bond geometry to one C(73) atom. In the seventeenth H site, H(69) is bonded in a single-bond geometry to one C(73) atom. In the eighteenth H site, H(73) is bonded in a single-bond geometry to one C(77) atom. In the nineteenth H site, H(77) is bonded in a single-bond geometry to one C(77) atom. In the twentieth H site, H(81) is bonded in a single-bond geometry to one C(81) atom. In the twenty-first H site, H(85) is bonded in a single-bond geometry to one C(81) atom. In the twenty-second H site, H(89) is bonded in a single-bond geometry to one C(85) atom. In the twenty-third H site, H(117) is bonded in a single-bond geometry to one C(97) atom. In the twenty-fourth H site, H(93) is bonded in a single-bond geometry to one C(85) atom. In the twenty-fifth H site, H(97) is bonded in a single-bond geometry to one C(89) atom. In the twenty-sixth H site, H(101) is bonded in a single-bond geometry to one C(89) atom. In the twenty-seventh H site, H(105) is bonded in a single-bond geometry to one C(93) atom. In the twenty-eighth H site, H(109) is bonded in a single-bond geometry to one C(93) atom. In the twenty-ninth H site, H(121) is bonded in a single-bond geometry to one C(101) atom. In the thirtieth H site, H(113) is bonded in a single-bond geometry to one C(97) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Ni(1) and one C(53) atom. In the second O site, O(5) is bonded in a single-bond geometry to one Ni(1) and one C(25) atom. In the third O site, O(9) is bonded in a distorted single-bond geometry to one C(25) atom. In the fourth O site, O(13) is bonded in a single-bond geometry to one C(53) atom. Linkers: 1 C1CNC[N@]2CC[N@](CC[N@]3CC[N@](CN1)C3)C2. Metal clusters: 3 [Ni]. The MOF has largest included sphere 4.19 A, density 1.25 g/cm3, surface area 4660.61 m2/g, accessible volume 0.24 cm3/g