Information card for entry 7119096

Structure parameters

• Formula: C19 H38 B10 Cl N2 Rh
• Calculated formula: C19 H38 B10 Cl N2 Rh
• SMILES: [Rh]123(Cl)([CH]4=[CH]3CC[CH]1=[CH]2CC4)=C1N(C=CN1C(C)(C)C)CC[C]1234[CH]567[BH]89%10[BH]%11%12%13[BH]%14%158[BH]8%16%17[BH]59%14[BH]168[BH]14%17[BH]3%12([BH]27%10%11)[BH]%13%15%161
• Title of publication: Tethered N-heterocyclic carbene-carboranes: unique ligands that exhibit unprecedented and versatile coordination modes at rhodium
• Authors of publication: Jordan Holmes; Christopher M. Pask; Mark A. Fox; Charlotte E. Willans
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 6443
• a: 12.3894 ± 0.0004 Å
• b: 15.3629 ± 0.0005 Å
• c: 13.6908 ± 0.0004 Å
• α: 90°
• β: 93.441 ± 0.003°
• γ: 90°
• Cell volume: 2601.17 ± 0.14 ų
• Cell temperature: 290.87 ± 0.1 K
• Ambient diffraction temperature: 290.87 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0811
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1173
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No