LuH3(CO)6 crystallizes in the triclinic P1 space group. There are two inequivalent Lu sites. In the first Lu site, Lu(1,2,3) is bonded in a distorted pentagonal pyramidal geometry to one O(1,19); one O(2,20); one O(3,21); one O(4,22); one O(5,23); and one O(6,24) atom. The Lu(1,2,3)-O(1,19) bond length is 2.39 Å. The Lu(1,2,3)-O(2,20) bond length is 2.43 Å. The Lu(1,2,3)-O(3,21) bond length is 2.17 Å. The Lu(1,2,3)-O(4,22) bond length is 2.33 Å. The Lu(1,2,3)-O(5,23) bond length is 2.24 Å. The Lu(1,2,3)-O(6,24) bond length is 2.28 Å. In the second Lu site, Lu(4) is bonded in a distorted pentagonal pyramidal geometry to one O(1,19); one O(2,20); one O(3,21); one O(4,22); one O(5,23); and one O(6,24) atom. The Lu(4)-O(1,19) bond length is 2.39 Å. The Lu(4)-O(2,20) bond length is 2.43 Å. The Lu(4)-O(3,21) bond length is 2.17 Å. The Lu(4)-O(4,22) bond length is 2.33 Å. The Lu(4)-O(5,23) bond length is 2.24 Å. The Lu(4)-O(6,24) bond length is 2.28 Å. There are thirteen inequivalent C sites. In the first C site, C(1,7,13) is bonded in a bent 120 degrees geometry to one C(2,14,20); one O(1,19); and one O(2,20) atom. The C(1,7,13)-C(2,14,20) bond length is 1.48 Å. The C(1,7,13)-O(1,19) bond length is 1.28 Å. The C(1,7,13)-O(2,20) bond length is 1.26 Å. In the second C site, C(2,14,20) is bonded in a distorted trigonal planar geometry to one C(1,7,13); one C(2,14,20); and one H(1,4,7) atom. The C(2,14,20)-C(2,14,20) bond length is 1.39 Å. The C(2,14,20)-H(1,4,7) bond length is 1.14 Å. In the third C site, C(3,9,21) is bonded in a distorted bent 120 degrees geometry to one C(4,22); one O(3,21); and one O(4,22) atom. The C(3,9,21)-C(4,22) bond length is 1.49 Å. The C(3,9,21)-O(3,21) bond length is 1.24 Å. The C(3,9,21)-O(4,22) bond length is 1.25 Å. In the fourth C site, C(4,22) is bonded in a distorted trigonal planar geometry to one C(3,9,21); one C(5,11,23); and one H(2,5,11) atom. The C(4,22)-C(5,11,23) bond length is 1.33 Å. The C(4,22)-H(2,5,11) bond length is 1.14 Å. In the fifth C site, C(5,11,23) is bonded in a distorted trigonal planar geometry to one C(4,22); one C(6,18,24); and one H(3,6,12) atom. The C(5,11,23)-C(6,18,24) bond length is 1.47 Å. The C(5,11,23)-H(3,6,12) bond length is 1.14 Å. In the sixth C site, C(6,18,24) is bonded in a bent 120 degrees geometry to one C(5,11,23); one O(5,23); and one O(6,24) atom. The C(6,18,24)-O(5,23) bond length is 1.27 Å. The C(6,18,24)-O(6,24) bond length is 1.24 Å. In the seventh C site, C(8) is bonded in a distorted trigonal planar geometry to one C(1,7,13); one C(2,14,20); and one H(1,4,7) atom. The C(8)-C(1,7,13) bond length is 1.48 Å. The C(8)-C(2,14,20) bond length is 1.39 Å. The C(8)-H(1,4,7) bond length is 1.14 Å. In the eighth C site, C(10) is bonded in a distorted trigonal planar geometry to one C(3,9,21); one C(5,11,23); and one H(2,5,11) atom. The C(10)-C(3,9,21) bond length is 1.49 Å. The C(10)-C(5,11,23) bond length is 1.33 Å. The C(10)-H(2,5,11) bond length is 1.14 Å. In the ninth C site, C(12) is bonded in a bent 120 degrees geometry to one C(17), one O(11), and one O(12) atom. The C(12)-C(17) bond length is 1.47 Å. The C(12)-O(11) bond length is 1.27 Å. The C(12)-O(12) bond length is 1.24 Å. In the tenth C site, C(15) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(15), and one O(16) atom. The C(15)-C(16) bond length is 1.49 Å. The C(15)-O(15) bond length is 1.24 Å. The C(15)-O(16) bond length is 1.25 Å. In the eleventh C site, C(16) is bonded in a distorted trigonal planar geometry to one C(15), one C(17), and one H(8) atom. The C(16)-C(17) bond length is 1.33 Å. The C(16)-H(8) bond length is 1.14 Å. In the twelfth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(12), one C(16), and one H(9) atom. The C(17)-H(9) bond length is 1.14 Å. In the thirteenth C site, C(19) is bonded in a bent 120 degrees geometry to one C(2,14,20); one O(1,19); and one O(2,20) atom. The C(19)-C(2,14,20) bond length is 1.48 Å. The C(19)-O(1,19) bond length is 1.28 Å. The C(19)-O(2,20) bond length is 1.26 Å. There are six inequivalent H sites. In the first H site, H(1,4,7) is bonded in a single-bond geometry to one C(2,14,20) atom. In the second H site, H(2,5,11) is bonded in a single-bond geometry to one C(4,22) atom. In the third H site, H(3,6,12) is bonded in a single-bond geometry to one C(5,11,23) atom. In the fourth H site, H(8) is bonded in a single-bond geometry to one C(16) 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(10) is bonded in a single-bond geometry to one C(2,14,20) atom. The H(10)-C(2,14,20) bond length is 1.14 Å. There are eighteen inequivalent O sites. In the first O site, O(1,19) is bonded in a distorted L-shaped geometry to one Lu(1,2,3) and one C(1,7,13) atom. In the second O site, O(2,20) is bonded in a distorted L-shaped geometry to one Lu(1,2,3) and one C(1,7,13) atom. In the third O site, O(3,21) is bonded in a linear geometry to one Lu(1,2,3) and one C(3,9,21) atom. In the fourth O site, O(4,22) is bonded in a distorted bent 120 degrees geometry to one Lu(4) and one C(3,9,21) atom. In the fifth O site, O(5,23) is bonded in a distorted bent 150 degrees geometry to one Lu(4) and one C(6,18,24) atom. In the sixth O site, O(6,24) is bonded in a distorted bent 150 degrees geometry to one Lu(1,2,3) and one C(6,18,24) atom. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Lu(1,2,3) and one C(1,7,13) atom. The O(7)-Lu(1,2,3) bond length is 2.39 Å. The O(7)-C(1,7,13) bond length is 1.28 Å. In the eighth O site, O(8) is bonded in a distorted L-shaped geometry to one Lu(1,2,3) and one C(1,7,13) atom. The O(8)-Lu(1,2,3) bond length is 2.43 Å. The O(8)-C(1,7,13) bond length is 1.26 Å. In the ninth O site, O(9) is bonded in a linear geometry to one Lu(1,2,3) and one C(3,9,21) atom. The O(9)-Lu(1,2,3) bond length is 2.17 Å. The O(9)-C(3,9,21) bond length is 1.24 Å. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Lu(1,2,3) and one C(3,9,21) atom. The O(10)-Lu(1,2,3) bond length is 2.33 Å. The O(10)-C(3,9,21) bond length is 1.25 Å. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Lu(1,2,3) and one C(12) atom. The O(11)-Lu(1,2,3) bond length is 2.24 Å. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Lu(1,2,3) and one C(12) atom. The O(12)-Lu(1,2,3) bond length is 2.28 Å. In the thirteenth O site, O(13) is bonded in a distorted L-shaped geometry to one Lu(1,2,3) and one C(1,7,13) atom. The O(13)-Lu(1,2,3) bond length is 2.39 Å. The O(13)-C(1,7,13) bond length is 1.28 Å. In the fourteenth O site, O(14) is bonded in a distorted L-shaped geometry to one Lu(1,2,3) and one C(1,7,13) atom. The O(14)-Lu(1,2,3) bond length is 2.43 Å. The O(14)-C(1,7,13) bond length is 1.26 Å. In the fifteenth O site, O(15) is bonded in a linear geometry to one Lu(1,2,3) and one C(15) atom. The O(15)-Lu(1,2,3) bond length is 2.17 Å. In the sixteenth O site, O(16) is bonded in a distorted bent 120 degrees geometry to one Lu(1,2,3) and one C(15) atom. The O(16)-Lu(1,2,3) bond length is 2.33 Å. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Lu(1,2,3) and one C(6,18,24) atom. The O(17)-Lu(1,2,3) bond length is 2.24 Å. The O(17)-C(6,18,24) bond length is 1.27 Å. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Lu(1,2,3) and one C(6,18,24) atom. The O(18)-Lu(1,2,3) bond length is 2.28 Å. The O(18)-C(6,18,24) bond length is 1.24 Å. Linkers: 6 [O]C(=O)/C=C/C([O])=O. Metal clusters: 4 [Lu]. The MOF has largest included sphere 4.95 A, density 1.78 g/cm3, surface area 2473.69 m2/g, accessible volume 0.25 cm3/g