Information card for entry 2004443

Structure parameters

• Common name: Holmium carbons apart carborane cluster
• Formula: C44 H100 B8 Cl4 Ho2 Li2 N6 Si4
• Calculated formula: C44 H100 B8 Cl4 Ho2 Li2 N6 Si4
• SMILES: [BH]123[BH]456[B]789%10[BH]%11%124[C]15([Ho]145%13%1439%11([Cl][Li]3([N](C)(C)CC[N]3(C)C)[Cl]%14)[BH]39[BH]%11%14%15[BH]%161([B]14%11([C]53%14[Si](C)(C)C)[H][Ho]34%10%12%161([Cl][Li]1([N](C)(C)CC[N]1(C)C)[Cl]4)([H]8)[N](CC[N]3(C)C)(C)C)[C]%139%15[Si](C)(C)C)([C]267[Si](C)(C)C)[Si](C)(C)C.c12ccccc1cccc2
• Title of publication: A Dinuclear Holmium(III) `Carbons Apart' Carborane Cluster, [C~34~H~92~B~8~Cl~4~Ho~2~Li~2~N~6~Si~4~].C~10~H~8~
• Authors of publication: Zhang, H.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 8 - 11
• a: 11.996 ± 0.003 Å
• b: 13.048 ± 0.003 Å
• c: 25.017 ± 0.008 Å
• α: 98.93 ± 0.02°
• β: 90.46 ± 0.02°
• γ: 114 ± 0.02°
• Cell volume: 3522.9 ± 1.8 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for all reflections: 0.1254
• Weighted residual factors for significantly intense reflections: 0.1042
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No