Information card for entry 2004596

Structure parameters

• Common name: Holmium "carbons adjacent" carborane-tmeda cluster
• Formula: C43 H111 B8 Cl2 Ho Li3 N8 Si4
• Calculated formula: C43 H111 B8 Cl2 Ho Li3 N8 Si4
• SMILES: [Ho]12345678([BH]9%10[BH]%111[BH]12[BH]29%11[C]31([C]4%102[Si](C)(C)C)[Si](C)(C)C)(Cl)(Cl)[BH]12[BH]35[BH]46[BH]513[C]74([C]825[Si](C)(C)C)[Si](C)(C)C.C(C[N]1(C)C)[N]([Li]1)(C)C.[Li]12([N](C)(C)CC[N]1(C)C)[N](C)(C)CC[N]2(C)C.C([N]1(C)C)C[N](C)(C)[Li]1.c1ccccc1
• Title of publication: A Holmium(III) `Carbons Adjacent' Carborane Cluster, [Li(C~6~H~16~N~2~)~2~][Li~2~(C~6~H~16~N~2~)~2~{HoCl~2~(C~8~H~22~B~4~Si~2~)~2~}].0.5C~6~H~6~
• 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: 3
• Pages of publication: 640 - 643
• a: 14.708 ± 0.002 Å
• b: 21.098 ± 0.004 Å
• c: 23.127 ± 0.003 Å
• α: 90°
• β: 93.29 ± 0.01°
• γ: 90°
• Cell volume: 7164.7 ± 1.9 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for all reflections: 0.1148
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for all reflections: 0.992
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes