Co2Ni3H26(C6N7)3(CH2)12 crystallizes in the monoclinic C2/c space group. The structure consists of forty-eight 02329_fluka molecules inside a Co2Ni3H26(C6N7)3 framework. In the Co2Ni3H26(C6N7)3 framework, Co(1) is bonded in an octahedral geometry to one C(1), one C(2), one C(3), one C(4), one C(5), and one C(6) atom. The Co(1)-C(1) bond length is 1.89 Å. The Co(1)-C(2) bond length is 1.87 Å. The Co(1)-C(3) bond length is 1.89 Å. The Co(1)-C(4) bond length is 1.92 Å. The Co(1)-C(5) bond length is 1.90 Å. The Co(1)-C(6) bond length is 1.88 Å. 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(3), one N(6), one N(7), one N(8), and one N(9) atom. The Ni(1)-N(1) bond length is 2.11 Å. The Ni(1)-N(3) bond length is 2.07 Å. The Ni(1)-N(6) bond length is 2.08 Å. The Ni(1)-N(7) bond length is 2.09 Å. The Ni(1)-N(8) bond length is 2.12 Å. The Ni(1)-N(9) bond length is 2.10 Å. In the second Ni site, Ni(2) is bonded in a square pyramidal geometry to one N(11), two equivalent N(10), and two equivalent N(2) atoms. The Ni(2)-N(11) bond length is 2.12 Å. Both Ni(2)-N(10) bond lengths are 2.07 Å. Both Ni(2)-N(2) bond lengths are 2.06 Å. There are nine inequivalent C sites. In the first C site, C(1) is bonded in a linear geometry to one Co(1) and one N(1) atom. The C(1)-N(1) bond length is 1.14 Å. In the second C site, C(2) is bonded in a linear geometry to one Co(1) and one N(2) atom. The C(2)-N(2) bond length is 1.18 Å. In the third C site, C(3) is bonded in a linear geometry to one Co(1) and one N(3) atom. The C(3)-N(3) bond length is 1.13 Å. In the fourth C site, C(4) is bonded in a linear geometry to one Co(1) and one N(4) atom. The C(4)-N(4) bond length is 1.15 Å. In the fifth C site, C(5) is bonded in a linear geometry to one Co(1) and one N(5) atom. The C(5)-N(5) bond length is 1.18 Å. In the sixth C site, C(6) is bonded in a linear geometry to one Co(1) and one N(6) atom. The C(6)-N(6) bond length is 1.15 Å. In the seventh C site, C(12) is bonded in a 3-coordinate geometry to one N(9), one H(14), and one H(15) atom. The C(12)-N(9) bond length is 1.43 Å. The C(12)-H(14) bond length is 0.89 Å. The C(12)-H(15) bond length is 0.92 Å. In the eighth C site, C(13) is bonded in a 3-coordinate geometry to one N(10), one H(20), and one H(21) atom. The C(13)-N(10) bond length is 1.37 Å. The C(13)-H(20) bond length is 0.97 Å. The C(13)-H(21) bond length is 0.94 Å. In the ninth C site, C(15) is bonded in a 3-coordinate geometry to one N(11), one H(24), and one H(25) atom. The C(15)-N(11) bond length is 1.37 Å. The C(15)-H(24) bond length is 1.01 Å. The C(15)-H(25) bond length is 0.91 Å. There are eleven inequivalent N sites. In the first N site, N(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one C(1) atom. In the second N site, N(2) is bonded in a bent 150 degrees geometry to one Ni(2) and one C(2) atom. In the third N site, N(3) is bonded in a linear geometry to one Ni(1) and one C(3) atom. In the fourth N site, N(4) is bonded in a single-bond geometry to one C(4) atom. In the fifth N site, N(5) is bonded in a single-bond geometry to one C(5) atom. In the sixth N site, N(6) is bonded in a bent 150 degrees geometry to one Ni(1) and one C(6) atom. In the seventh N site, N(7) is bonded in a distorted water-like geometry to one Ni(1), one H(1), and one H(2) atom. The N(7)-H(1) bond length is 0.92 Å. The N(7)-H(2) bond length is 0.96 Å. In the eighth N site, N(8) is bonded in a distorted single-bond geometry to one Ni(1) and one H(9) atom. The N(8)-H(9) bond length is 0.98 Å. In the ninth N site, N(9) is bonded in a 2-coordinate geometry to one Ni(1), one C(12), one H(16), and one H(17) atom. The N(9)-H(16) bond length is 0.94 Å. The N(9)-H(17) bond length is 0.94 Å. In the tenth N site, N(10) is bonded in a 2-coordinate geometry to one Ni(2), one C(13), one H(18), and one H(19) atom. The N(10)-H(18) bond length is 0.95 Å. The N(10)-H(19) bond length is 0.94 Å. In the eleventh N site, N(11) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent C(15) atoms. There are thirteen inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(7) atom. In the third H site, H(9) is bonded in a single-bond geometry to one N(8) atom. In the fourth H site, H(14) is bonded in a single-bond geometry to one C(12) atom. In the fifth H site, H(15) is bonded in a single-bond geometry to one C(12) atom. In the sixth H site, H(16) is bonded in a single-bond geometry to one N(9) atom. In the seventh H site, H(17) is bonded in a single-bond geometry to one N(9) atom. In the eighth H site, H(18) is bonded in a single-bond geometry to one N(10) atom. In the ninth H site, H(19) is bonded in a single-bond geometry to one N(10) atom. In the tenth H site, H(20) is bonded in a single-bond geometry to one C(13) atom. In the eleventh H site, H(21) is bonded in a single-bond geometry to one C(13) atom. In the twelfth H site, H(24) is bonded in a single-bond geometry to one C(15) atom. In the thirteenth H site, H(25) is bonded in a single-bond geometry to one C(15) atom. Linkers: 2 NCCC[N]CCCN ,4 NCCCNCCCN. Metal clusters: 4 [Co] ,6 [Ni]. The MOF has largest included sphere 6.21 A, density 1.19 g/cm3, surface area 4797.02 m2/g, accessible volume 0.39 cm3/g