Information card for entry 2211783

Structure parameters

• Chemical name: Carbonyl(3,7-dichlorotropolonato)(triphenylphosphine)rhodium(I)
• Formula: C26 H18 Cl2 O3 P Rh
• Calculated formula: C26 H18 Cl2 O3 P Rh
• SMILES: [Rh]1(OC2C(=[O]1)C(=CC=CC=2Cl)Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#[O]
• Title of publication: Carbonyl(3,7-dichlorotropolonato)(triphenylphosphine)rhodium(I)
• Authors of publication: Steyl, Gideon
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m23 - m25
• a: 8.823 ± 0.005 Å
• b: 17.662 ± 0.005 Å
• c: 15.563 ± 0.005 Å
• α: 90°
• β: 106.45 ± 0.005°
• γ: 90°
• Cell volume: 2325.9 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0347
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0575
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes