Information card for entry 7013548

Structure parameters

• Formula: C16 H13 Cl N4 O P Rh
• Calculated formula: C16 H13 Cl N4 O P Rh
• SMILES: [Rh]1([P](n2cccc2)(n2cccc2)n2c3[n]1cccc3cc2)(Cl)C#[O]
• Title of publication: The synthesis and late transition metal chemistry of 7-aza-N-indolyl phosphines and the activity of their palladium complexes in CO?ethene co-polymerisation
• Authors of publication: Burrows, Andrew D.; Mahon, Mary F.; Varrone, Maurizio
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 24
• Pages of publication: 4718
• a: 8.713 ± 0.0001 Å
• b: 11.015 ± 0.0002 Å
• c: 17.838 ± 0.0002 Å
• α: 90°
• β: 99.254 ± 0.001°
• γ: 90°
• Cell volume: 1689.7 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0225
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No