Information card for entry 4074304

Structure parameters

• Formula: C31 H24 N P
• Calculated formula: C31 H24 N P
• SMILES: C1(P(=Nc2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2c2ccccc12
• Title of publication: Enforced η1-Fluorenyl Coordination to Rhodium(I) with the [FluPPh2NPh]-Ligand
• Authors of publication: Freund, Christelle; Barros, Noémi; Gornitzka, Heinz; Martin-Vaca, Blanca; Maron, Laurent; Bourissou, Didier
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 20
• Pages of publication: 4927
• a: 9.4833 ± 0.0009 Å
• b: 12.6243 ± 0.0013 Å
• c: 19.2691 ± 0.0019 Å
• α: 90°
• β: 98.991 ± 0.002°
• γ: 90°
• Cell volume: 2278.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0716
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No