Information card for entry 4324073

Structure parameters

• Formula: C31 H41 N2 O2 Rh
• Calculated formula: C31 H41 N2 O2 Rh
• SMILES: [Rh]1(N(c2c(cccc2C(C)C)C(C)C)C(=CC(=[N]1c1c(C(C)C)cccc1C(C)C)C)C)(C#[O])C#[O]
• Title of publication: Redox Behavior of Rhodium 9,10-Phenanthrenediimine Complexes
• Authors of publication: David W. Shaffer; Scott A. Ryken; Ryan A. Zarkesh; Alan F. Heyduk
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 13 - 21
• a: 35.218 ± 0.006 Å
• b: 9.3465 ± 0.0016 Å
• c: 20.861 ± 0.004 Å
• α: 90°
• β: 120.613 ± 0.002°
• γ: 90°
• Cell volume: 5909.7 ± 1.8 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0528
• Weighted residual factors for all reflections included in the refinement: 0.0554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No