MoNi2H48(C7N5)4(CH3O)4 crystallizes in the monoclinic C2/c space group. The structure consists of sixteen methanol molecules inside a MoNi2H48(C7N5)4 framework. In the MoNi2H48(C7N5)4 framework, Mo(1) is bonded in a 8-coordinate geometry to two equivalent C(1), two equivalent C(2), two equivalent C(3), and two equivalent C(4) atoms. Both Mo(1)-C(1) bond lengths are 2.11 Å. Both Mo(1)-C(2) bond lengths are 2.13 Å. Both Mo(1)-C(3) bond lengths are 2.14 Å. Both Mo(1)-C(4) bond lengths are 2.15 Å. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent N(1), two equivalent N(5), and two equivalent N(7) atoms to form NiN6 octahedra that share corners with two equivalent C(6)H2N2 tetrahedra and corners with two equivalent C(7)H2N2 tetrahedra. Both Ni(1)-N(1) bond lengths are 2.07 Å. Both Ni(1)-N(5) bond lengths are 2.08 Å. Both Ni(1)-N(7) bond lengths are 2.07 Å. In the second Ni site, Ni(2) is bonded to two equivalent N(10), two equivalent N(3), and two equivalent N(8) atoms to form NiN6 octahedra that share corners with two equivalent C(10)H2N2 tetrahedra and corners with two equivalent C(11)H2N2 tetrahedra. Both Ni(2)-N(10) bond lengths are 2.08 Å. Both Ni(2)-N(3) bond lengths are 2.12 Å. Both Ni(2)-N(8) bond lengths are 2.04 Å. There are fourteen inequivalent C sites. In the first C site, C(5) is bonded in a 3-coordinate geometry to one C(8); one N(5); and two equivalent H(1,2) atoms. The C(5)-C(8) bond length is 1.48 Å. The C(5)-N(5) bond length is 1.45 Å. Both C(5)-H(1,2) bond lengths are 0.97 Å. In the second C site, C(6) is bonded to one N(5); one N(6); and two equivalent H(3,4) atoms to form CH2N2 tetrahedra that share  a cornercorner with one Ni(1)N6 octahedra and  a cornercorner with one C(7)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 69°. The C(6)-N(5) bond length is 1.52 Å. The C(6)-N(6) bond length is 1.50 Å. Both C(6)-H(3,4) bond lengths are 0.97 Å. In the third C site, C(7) is bonded to one N(6), one N(7), one H(5), and one H(6) atom to form CH2N2 tetrahedra that share  a cornercorner with one Ni(1)N6 octahedra and  a cornercorner with one C(6)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 64°. The C(7)-N(6) bond length is 1.52 Å. The C(7)-N(7) bond length is 1.52 Å. The C(7)-H(5) bond length is 0.97 Å. The C(7)-H(6) bond length is 0.97 Å. In the fourth C site, C(8) is bonded in a 4-coordinate geometry to one C(5); one N(7); and two equivalent H(7,8) atoms. The C(8)-N(7) bond length is 1.49 Å. Both C(8)-H(7,8) bond lengths are 0.97 Å. In the fifth C site, C(9) is bonded in a 3-coordinate geometry to one N(8), one H(10), and one H(9) atom. The C(9)-N(8) bond length is 1.50 Å. The C(9)-H(10) bond length is 0.96 Å. The C(9)-H(9) bond length is 0.96 Å. In the sixth C site, C(10) is bonded to one N(8); one N(9); and two equivalent H(11,12) atoms to form CH2N2 tetrahedra that share  a cornercorner with one Ni(2)N6 octahedra and  a cornercorner with one C(11)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 63°. The C(10)-N(8) bond length is 1.51 Å. The C(10)-N(9) bond length is 1.49 Å. Both C(10)-H(11,12) bond lengths are 0.97 Å. In the seventh C site, C(11) is bonded to one N(10); one N(9); and two equivalent H(13,14) atoms to form CH2N2 tetrahedra that share  a cornercorner with one Ni(2)N6 octahedra and  a cornercorner with one C(10)H2N2 tetrahedra. The corner-sharing octahedral tilt angles are 68°. The C(11)-N(10) bond length is 1.50 Å. The C(11)-N(9) bond length is 1.49 Å. Both C(11)-H(13,14) bond lengths are 0.97 Å. In the eighth C site, C(12) is bonded in a 3-coordinate geometry to one N(10), one H(15), and one H(16) atom. The C(12)-N(10) bond length is 1.46 Å. The C(12)-H(15) bond length is 0.96 Å. The C(12)-H(16) bond length is 0.96 Å. In the ninth C site, C(13) is bonded in a 3-coordinate geometry to one N(6), one H(17), and one H(18) atom. The C(13)-N(6) bond length is 1.46 Å. The C(13)-H(17) bond length is 0.97 Å. The C(13)-H(18) bond length is 0.97 Å. In the tenth C site, C(15) is bonded in a 3-coordinate geometry to one N(9), one H(21), and one H(22) atom. The C(15)-N(9) bond length is 1.44 Å. The C(15)-H(21) bond length is 0.97 Å. The C(15)-H(22) bond length is 0.97 Å. In the eleventh C site, C(1) is bonded in a distorted linear geometry to one Mo(1) and one N(1) atom. The C(1)-N(1) bond length is 1.17 Å. In the twelfth C site, C(2) is bonded in a distorted linear geometry to one Mo(1) and one N(2) atom. The C(2)-N(2) bond length is 1.11 Å. In the thirteenth C site, C(3) is bonded in a distorted single-bond geometry to one Mo(1) and one N(3) atom. The C(3)-N(3) bond length is 1.16 Å. In the fourteenth C site, C(4) is bonded in a distorted single-bond geometry to one Mo(1) and one N(4) atom. The C(4)-N(4) bond length is 1.12 Å. There are ten inequivalent N sites. In the first N site, N(3) is bonded in a bent 150 degrees geometry to one Ni(2) and one C(3) atom. In the second N site, N(5) is bonded in a distorted single-bond geometry to one Ni(1), one C(5), one C(6), and one H(25) atom. The N(5)-H(25) bond length is 0.91 Å. In the third N site, N(6) is bonded in a trigonal non-coplanar geometry to one C(13), one C(6), and one C(7) atom. In the fourth N site, N(7) is bonded in a distorted single-bond geometry to one Ni(1), one C(7), one C(8), and one H(26) atom. The N(7)-H(26) bond length is 0.91 Å. In the fifth N site, N(8) is bonded in a distorted single-bond geometry to one Ni(2), one C(10), one C(9), and one H(27) atom. The N(8)-H(27) bond length is 0.91 Å. In the sixth N site, N(9) is bonded in a trigonal planar geometry to one C(10), one C(11), and one C(15) atom. In the seventh N site, N(4) is bonded in a single-bond geometry to one C(4) atom. In the eighth N site, N(10) is bonded in a 1-coordinate geometry to one Ni(2), one C(11), one C(12), and one H(28) atom. The N(10)-H(28) bond length is 0.91 Å. In the ninth N site, N(2) is bonded in a single-bond geometry to one C(2) atom. In the tenth N site, N(1) is bonded in a bent 150 degrees geometry to one Ni(1) and one C(1) atom. There are nineteen inequivalent H sites. In the first H site, H(1,2) is bonded in a single-bond geometry to one C(5) atom. In the second H site, H(3,4) is bonded in a single-bond geometry to one C(6) atom. In the third H site, H(5) is bonded in a single-bond geometry to one C(7) atom. In the fourth H site, H(6) is bonded in a single-bond geometry to one C(7) atom. In the fifth H site, H(7,8) is bonded in a single-bond geometry to one C(8) atom. In the sixth H site, H(9) is bonded in a single-bond geometry to one C(9) atom. In the seventh H site, H(10) is bonded in a single-bond geometry to one C(9) atom. In the eighth H site, H(11,12) is bonded in a single-bond geometry to one C(10) atom. In the ninth H site, H(13,14) is bonded in a single-bond geometry to one C(11) atom. In the tenth H site, H(15) is bonded in a single-bond geometry to one C(12) atom. In the eleventh H site, H(16) is bonded in a single-bond geometry to one C(12) atom. In the twelfth H site, H(17) is bonded in a single-bond geometry to one C(13) atom. In the thirteenth H site, H(18) is bonded in a single-bond geometry to one C(13) atom. In the fourteenth H site, H(21) is bonded in a single-bond geometry to one C(15) atom. In the fifteenth H site, H(22) is bonded in a single-bond geometry to one C(15) atom. In the sixteenth H site, H(25) is bonded in a single-bond geometry to one N(5) atom. In the seventeenth H site, H(26) is bonded in a single-bond geometry to one N(7) atom. In the eighteenth H site, H(27) is bonded in a single-bond geometry to one N(8) atom. In the nineteenth H site, H(28) is bonded in a single-bond geometry to one N(10) atom. Linkers: 6 OCCN1CNCCNCN(CCO)CNCCNC1. Metal clusters: 4 [Ni] ,2 [Mo]. The MOF has largest included sphere 6.41 A, density 1.06 g/cm3, surface area 4440.19 m2/g, accessible volume 0.42 cm3/g