Information card for entry 4073498

Structure parameters

• Formula: C33 H70 B20 Cl2 Ni Rh2 Se6
• Calculated formula: C33 H68 B20 Cl2 Ni Rh2 Se6
• SMILES: [BH]1234[BH]567[C]89%101[BH]1%11%12[BH]%13%14%15[C]281([BH]14%13[BH]235[BH]3%141[BH]1%12%15[BH]6%10%11[BH]7231)[Se][Rh]12345([c]6([c]4([c]3([c]2([c]16C)C)C)C)C)[Se]9[Ni]1([Se]5CCCC)[Se]2[C]3456[BH]789[BH]%10%113[BH]3%124[BH]4%135[BH]5%14%15[BH]%1634[BH]3%10%12[BH]48%11[BH]9%14([C]67%135[Se][Rh]56782([c]2([c]8([c]7([c]6([c]52C)C)C)C)C)[Se]1CCCC)[BH]%15%1634.C(Cl)Cl
• Title of publication: Trinuclear Rh2M Complexes (M = Ni, Pd) Bridged by Butyl Selenolato and Carborane Diselenolato Ligands
• Authors of publication: Cai, Shuyi; Jin, Guo-Xin
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 22
• Pages of publication: 5442
• a: 11.488 ± 0.003 Å
• b: 21.292 ± 0.005 Å
• c: 23.703 ± 0.006 Å
• α: 90°
• β: 100.899 ± 0.004°
• γ: 90°
• Cell volume: 5693 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0967
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.791
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No