YH3(CO)6 crystallizes in the triclinic P1 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a distorted pentagonal pyramidal geometry to one O(1), one O(2), one O(21), one O(24), one O(4), and one O(5) atom. The Y(1)-O(1) bond length is 2.42 Å. The Y(1)-O(2) bond length is 2.47 Å. The Y(1)-O(21) bond length is 2.23 Å. The Y(1)-O(24) bond length is 2.33 Å. The Y(1)-O(4) bond length is 2.36 Å. The Y(1)-O(5) bond length is 2.26 Å. In the second Y site, Y(2) is bonded in a distorted pentagonal pyramidal geometry to one O(10), one O(11), one O(15), one O(18), one O(7), and one O(8) atom. The Y(2)-O(10) bond length is 2.36 Å. The Y(2)-O(11) bond length is 2.26 Å. The Y(2)-O(15) bond length is 2.23 Å. The Y(2)-O(18) bond length is 2.33 Å. The Y(2)-O(7) bond length is 2.42 Å. The Y(2)-O(8) bond length is 2.47 Å. In the third Y site, Y(3,4) is bonded in a distorted pentagonal pyramidal geometry to one O(12), one O(13), one O(14), one O(16), one O(17), and one O(9) atom. The Y(3,4)-O(12) bond length is 2.33 Å. The Y(3,4)-O(13) bond length is 2.42 Å. The Y(3,4)-O(14) bond length is 2.47 Å. The Y(3,4)-O(16) bond length is 2.36 Å. The Y(3,4)-O(17) bond length is 2.26 Å. The Y(3,4)-O(9) bond length is 2.23 Å. There are twenty inequivalent C sites. In the first C site, C(1) is bonded in a bent 120 degrees geometry to one C(2), one O(1), and one O(2) atom. The C(1)-C(2) bond length is 1.48 Å. The C(1)-O(1) bond length is 1.29 Å. The C(1)-O(2) bond length is 1.24 Å. In the second C site, C(2) is bonded in a distorted trigonal planar geometry to one C(1), one C(14), and one H(1) atom. The C(2)-C(14) bond length is 1.33 Å. The C(2)-H(1) bond length is 1.14 Å. In the third C site, C(3,9) is bonded in a distorted bent 120 degrees geometry to one C(4,10); one O(3); and one O(4) atom. The C(3,9)-C(4,10) bond length is 1.47 Å. The C(3,9)-O(3) bond length is 1.25 Å. The C(3,9)-O(4) bond length is 1.27 Å. In the fourth C site, C(4,10) is bonded in a distorted trigonal planar geometry to one C(23); one C(3,9); and one H(2,5) atom. The C(4,10)-C(23) bond length is 1.35 Å. The C(4,10)-H(2,5) bond length is 1.14 Å. In the fifth C site, C(5) is bonded in a distorted trigonal planar geometry to one C(22), one C(6), and one H(3) atom. The C(5)-C(22) bond length is 1.35 Å. The C(5)-C(6) bond length is 1.49 Å. The C(5)-H(3) bond length is 1.14 Å. In the sixth C site, C(6) is bonded in a bent 120 degrees geometry to one C(5), one O(5), and one O(6) atom. The C(6)-O(5) bond length is 1.24 Å. The C(6)-O(6) bond length is 1.25 Å. In the seventh C site, C(7) is bonded in a bent 120 degrees geometry to one C(8), one O(7), and one O(8) atom. The C(7)-C(8) bond length is 1.48 Å. The C(7)-O(7) bond length is 1.29 Å. The C(7)-O(8) bond length is 1.24 Å. In the eighth C site, C(8) is bonded in a distorted trigonal planar geometry to one C(20), one C(7), and one H(4) atom. The C(8)-C(20) bond length is 1.33 Å. The C(8)-H(4) bond length is 1.14 Å. In the ninth C site, C(11) is bonded in a distorted trigonal planar geometry to one C(12), one C(16), and one H(6) atom. The C(11)-C(12) bond length is 1.49 Å. The C(11)-C(16) bond length is 1.35 Å. The C(11)-H(6) bond length is 1.14 Å. In the tenth C site, C(12) is bonded in a bent 120 degrees geometry to one C(11), one O(11), and one O(12) atom. The C(12)-O(11) bond length is 1.24 Å. The C(12)-O(12) bond length is 1.25 Å. In the eleventh C site, C(13) is bonded in a bent 120 degrees geometry to one C(14), one O(13), and one O(14) atom. The C(13)-C(14) bond length is 1.48 Å. The C(13)-O(13) bond length is 1.29 Å. The C(13)-O(14) bond length is 1.24 Å. In the twelfth C site, C(14) is bonded in a distorted trigonal planar geometry to one C(13), one C(2), and one H(7) atom. The C(14)-H(7) bond length is 1.14 Å. In the thirteenth C site, C(15,21) is bonded in a distorted bent 120 degrees geometry to one C(16), one O(15), and one O(16) atom. The C(15,21)-C(16) bond length is 1.47 Å. The C(15,21)-O(15) bond length is 1.25 Å. The C(15,21)-O(16) bond length is 1.27 Å. In the fourteenth C site, C(16) is bonded in a distorted trigonal planar geometry to one C(11); one C(15,21); and one H(8,11) atom. The C(16)-H(8,11) bond length is 1.14 Å. In the fifteenth C site, C(17) is bonded in a distorted trigonal planar geometry to one C(18,24); one C(4,10); and one H(9,12) atom. The C(17)-C(18,24) bond length is 1.49 Å. The C(17)-C(4,10) bond length is 1.35 Å. The C(17)-H(9,12) bond length is 1.14 Å. In the sixteenth C site, C(18,24) is bonded in a bent 120 degrees geometry to one C(17), one O(17), and one O(18) atom. The C(18,24)-O(17) bond length is 1.24 Å. The C(18,24)-O(18) bond length is 1.25 Å. In the seventeenth C site, C(19) is bonded in a bent 120 degrees geometry to one C(20), one O(19), and one O(20) atom. The C(19)-C(20) bond length is 1.48 Å. The C(19)-O(19) bond length is 1.29 Å. The C(19)-O(20) bond length is 1.24 Å. In the eighteenth C site, C(20) is bonded in a distorted trigonal planar geometry to one C(19), one C(8), and one H(10) atom. The C(20)-H(10) bond length is 1.14 Å. In the nineteenth C site, C(22) is bonded in a distorted trigonal planar geometry to one C(15,21); one C(5); and one H(8,11) atom. The C(22)-C(15,21) bond length is 1.47 Å. The C(22)-H(8,11) bond length is 1.14 Å. In the twentieth C site, C(23) is bonded in a distorted trigonal planar geometry to one C(18,24); one C(4,10); and one H(9,12) atom. The C(23)-C(18,24) bond length is 1.49 Å. The C(23)-H(9,12) bond length is 1.14 Å. There are nine inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one C(2) atom. In the second H site, H(2,5) is bonded in a single-bond geometry to one C(4,10) atom. In the third H site, H(3) is bonded in a single-bond geometry to one C(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one C(8) atom. In the fifth H site, H(6) is bonded in a single-bond geometry to one C(11) atom. In the sixth H site, H(7) is bonded in a single-bond geometry to one C(14) atom. In the seventh H site, H(8,11) is bonded in a single-bond geometry to one C(16) atom. In the eighth H site, H(9,12) is bonded in a single-bond geometry to one C(17) atom. In the ninth H site, H(10) is bonded in a single-bond geometry to one C(20) atom. There are twenty-four inequivalent O sites. In the first O site, O(1) is bonded in a distorted L-shaped geometry to one Y(1) and one C(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Y(1) and one C(1) atom. In the third O site, O(3) is bonded in a linear geometry to one Y(3,4) and one C(3,9) atom. The O(3)-Y(3,4) bond length is 2.23 Å. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Y(1) and one C(3,9) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one C(6) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Y(3,4) and one C(6) atom. The O(6)-Y(3,4) bond length is 2.33 Å. In the seventh O site, O(7) is bonded in a distorted L-shaped geometry to one Y(2) and one C(7) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Y(2) and one C(7) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Y(3,4) and one C(3,9) atom. The O(9)-C(3,9) bond length is 1.25 Å. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one Y(2) and one C(3,9) atom. The O(10)-C(3,9) bond length is 1.27 Å. In the eleventh O site, O(11) is bonded in a distorted bent 150 degrees geometry to one Y(2) and one C(12) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Y(3,4) and one C(12) atom. In the thirteenth O site, O(13) is bonded in a distorted L-shaped geometry to one Y(3,4) and one C(13) atom. In the fourteenth O site, O(14) is bonded in a distorted single-bond geometry to one Y(3,4) and one C(13) atom. In the fifteenth O site, O(15) is bonded in a linear geometry to one Y(2) and one C(15,21) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Y(3,4) and one C(15,21) atom. In the seventeenth O site, O(17) is bonded in a distorted bent 150 degrees geometry to one Y(3,4) and one C(18,24) atom. In the eighteenth O site, O(18) is bonded in a distorted bent 150 degrees geometry to one Y(2) and one C(18,24) atom. In the nineteenth O site, O(19) is bonded in a distorted L-shaped geometry to one Y(3,4) and one C(19) atom. The O(19)-Y(3,4) bond length is 2.42 Å. In the twentieth O site, O(20) is bonded in a distorted single-bond geometry to one Y(3,4) and one C(19) atom. The O(20)-Y(3,4) bond length is 2.47 Å. In the twenty-first O site, O(21) is bonded in a linear geometry to one Y(1) and one C(15,21) atom. The O(21)-C(15,21) bond length is 1.25 Å. In the twenty-second O site, O(22) is bonded in a bent 120 degrees geometry to one Y(3,4) and one C(15,21) atom. The O(22)-Y(3,4) bond length is 2.36 Å. The O(22)-C(15,21) bond length is 1.27 Å. In the twenty-third O site, O(23) is bonded in a distorted bent 150 degrees geometry to one Y(3,4) and one C(18,24) atom. The O(23)-Y(3,4) bond length is 2.26 Å. The O(23)-C(18,24) bond length is 1.24 Å. In the twenty-fourth O site, O(24) is bonded in a distorted bent 150 degrees geometry to one Y(1) and one C(18,24) atom. The O(24)-C(18,24) bond length is 1.25 Å. Linkers: 6 [O]C(=O)/C=C/C([O])=O. Metal clusters: 4 [Y]. The MOF has largest included sphere 5.01 A, density 1.31 g/cm3, surface area 3444.07 m2/g, accessible volume 0.34 cm3/g