Information card for entry 4070613

Structure parameters

• Chemical name: (7-azaindol-7-ylboranato)-trans-bis(triphenylphosphine)carbonylrhodium(I)
• Formula: C44 H38 B N2 O P2 Rh
• Calculated formula: C44 H38 B N2 O P2 Rh
• SMILES: [Rh]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)(n2ccc3ccc[n]([BH2][H]1)c23)C#[O]
• Title of publication: 7-Azaindol-7-ylborate: A Novel Bidentate N^BH3Chelating Ligand
• Authors of publication: Wagler, Jörg; Hill, Anthony F.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 10
• Pages of publication: 2350
• a: 11.6962 ± 0.0002 Å
• b: 11.7252 ± 0.0002 Å
• c: 14.5351 ± 0.0003 Å
• α: 95.812 ± 0.001°
• β: 94.505 ± 0.001°
• γ: 106.179 ± 0.001°
• Cell volume: 1892.63 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No