Information card for entry 4083337

Structure parameters

• Formula: C56 H55 N2 O4 P2 Rh
• Calculated formula: C56 H55 N2 O4 P2 Rh
• SMILES: [RhH2]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)n2cccc3c2c2[n]1cccc2c3C(=O)O.O1CCCC1.O1CCCC1
• Title of publication: Reaction of Dinuclear Rhodium 4,5-Diazafluorenyl-9-Carboxylate Complexes with H2and CO2
• Authors of publication: Annibale, Vincent T.; Song, Datong
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 11
• Pages of publication: 2776
• a: 9.4229 ± 0.0002 Å
• b: 25.4721 ± 0.0007 Å
• c: 23.9558 ± 0.0007 Å
• α: 90°
• β: 101.177 ± 0.001°
• γ: 90°
• Cell volume: 5640.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0981
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1517
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No