Information card for entry 4083339

Structure parameters

• Formula: C84 H68 N2 O2 P4 Rh2
• Calculated formula: C84 H68 N2 O2 P4 Rh2
• SMILES: [Rh]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[O]=C(O1)c1c2c3n([RhH2]([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[n]4c3c1ccc4)ccc2
• 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: 15.0428 ± 0.0006 Å
• b: 15.4311 ± 0.0005 Å
• c: 17.7863 ± 0.0006 Å
• α: 74.982 ± 0.002°
• β: 78.3 ± 0.002°
• γ: 62.386 ± 0.002°
• Cell volume: 3516.9 ± 0.2 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: 0.0497
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No