Information card for entry 4083338

Structure parameters

• Formula: C88 H78 N2 O3 P4 Rh2
• Calculated formula: C88 H78 N2 O3 P4 Rh2
• SMILES: [RhH2]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)n2cccc3c2c2[n]1cccc2c3C1=[O][Rh]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)O1.O(CC)CC
• 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: 11.4599 ± 0.0007 Å
• b: 15.4442 ± 0.001 Å
• c: 21.9188 ± 0.0012 Å
• α: 75.822 ± 0.003°
• β: 84.103 ± 0.003°
• γ: 79.322 ± 0.003°
• Cell volume: 3689.4 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0885
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.097
• 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