Information card for entry 4073499

Structure parameters

• Formula: C33 H70 B20 Cl2 Pd Rh2 Se6
• Calculated formula: C33 H68 B20 Cl2 Pd Rh2 Se6
• SMILES: [c]12([c]3([c]4([c]5([c]1(C)[Rh]162345[Se]([Pd]2([Se]1CCCC)[Se]1[C]3457[BH]89%10[BH]%11%123[BH]3%134[BH]4%145[C]57%10([BH]7%108[BH]89%11[BH]9%123[BH]3%134[BH]%1457[BH]%10893)[Se][Rh]34571([c]1([c]3([c]4([c]5([c]71C)C)C)C)C)[Se]2CCCC)[C]1234[BH]578[BH]9%101[BH]1%112[BH]2%123[C]348([BH]485[BH]579[BH]7%101[BH]1%112[BH]%1234[BH]8571)[Se]6)C)C)C)C.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: 11.421 ± 0.003 Å
• b: 21.371 ± 0.007 Å
• c: 24.034 ± 0.006 Å
• α: 90°
• β: 101.274 ± 0.004°
• γ: 90°
• Cell volume: 5753 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1219
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0564
• Weighted residual factors for all reflections included in the refinement: 0.0665
• Goodness-of-fit parameter for all reflections included in the refinement: 0.639
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No