Information card for entry 7119094

Structure parameters

• Formula: C32 H58 B9 N3 O Rh2
• Calculated formula: C32 H58 B9 N3 O Rh2
• SMILES: [Rh]123([N]#CC)(=C4N(C=CN4CC[C]4567[BH]89%10[Rh]%11%12%13%14%15%16([CH]%17%18%19[BH]%20%21%11[BH]%118%12[BH]8%12%21[BH]%21%18%20[BH]4%17([BH]6%10%13%19)[BH]7%12%21[BH]59%118)[CH]4=[CH]%14CC[CH]%15=[CH]%16CC4)C(C)(C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.O=C(C)C
• 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: 11.1781 ± 0.0005 Å
• b: 12.5631 ± 0.0005 Å
• c: 14.8258 ± 0.0007 Å
• α: 111.322 ± 0.004°
• β: 92.917 ± 0.004°
• γ: 105.326 ± 0.004°
• Cell volume: 1845.32 ± 0.16 ų
• Cell temperature: 120.01 ± 0.11 K
• Ambient diffraction temperature: 120.01 ± 0.11 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No