Information card for entry 4342376

Structure parameters

• Formula: C90 H146 B20 Cl2 O2 P2 Rh2
• Calculated formula: C90 H146 B20 Cl2 O2 P2 Rh2
• SMILES: [Rh]1([P](C(C)C)(C(C)C)[C]2345[C]678(c9cc(cc(c9)c9c(cc(cc9C(C)C)C(C)C)C(C)C)c9c(cc(cc9C(C)C)C(C)C)C(C)C)[BH]9%102[BH]2%113[BH]3%124[BH]456[BH]56%12[BH]%12%113[BH]3%102[BH]279[BH]845[BH]6%1232)([Cl][Rh]([P](C(C)C)(C(C)C)[C]2345[C]678(c9cc(cc(c9)c9c(cc(cc9C(C)C)C(C)C)C(C)C)c9c(cc(cc9C(C)C)C(C)C)C(C)C)[BH]9%102[BH]2%113[BH]3%124[BH]456[BH]56%12[BH]%1223[BH]2%10%11[BH]389[BH]745[BH]6%1223)([Cl]1)C#[O])C#[O]
• Title of publication: Synthesis of a Hybrid m-Terphenyl/o-Carborane Building Block: Applications in Phosphine Ligand Design.
• Authors of publication: Lugo, Christopher A.; Moore, Curtis E.; Rheingold, Arnold L.; Lavallo, Vincent
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 5
• Pages of publication: 2094
• a: 10.435 ± 0.003 Å
• b: 30.802 ± 0.007 Å
• c: 15.579 ± 0.004 Å
• α: 90°
• β: 104.357 ± 0.006°
• γ: 90°
• Cell volume: 4851 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No