Information card for entry 4335356

Structure parameters

• Formula: C41 H40 B N2 O P2 Rh
• Calculated formula: C41 H40 B N2 O P2 Rh
• SMILES: [Rh]1([P](c2ccccc2)(c2ccccc2)C[B](n2[n]1ccc2)(CC=C)CC=C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Rhodium and Iridium Complexes with a New Scorpionate Phosphane Ligand
• Authors of publication: Angel L. Serrano; Miguel A. Casado; José A. López; Cristina Tejel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7593 - 7607
• a: 11.203 ± 0.002 Å
• b: 24.429 ± 0.004 Å
• c: 13.786 ± 0.002 Å
• α: 90°
• β: 102.177 ± 0.003°
• γ: 90°
• Cell volume: 3688 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0939
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No