Information card for entry 4075952

Structure parameters

• Formula: C25 H37 F2 N P2
• Calculated formula: C25 H37 F2 N P2
• SMILES: c1(c(cc(cc1)F)P(C(C)C)C(C)C)N(c1c(cc(cc1)F)P(C(C)C)C(C)C)C
• Title of publication: Competitive Activation of N−C and C−H Bonds of the PNP Framework by Monovalent Rhodium and Iridium
• Authors of publication: Weng, Wei; Guo, Chengyun; Moura, Claudia; Yang, Lin; Foxman, Bruce M.; Ozerov, Oleg V.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 14
• Pages of publication: 3487
• a: 18.668 ± 0.003 Å
• b: 10.3756 ± 0.0009 Å
• c: 14.786 ± 0.002 Å
• α: 90°
• β: 113.3 ± 0.014°
• γ: 90°
• Cell volume: 2630.4 ± 0.7 ų
• Cell temperature: 294 K
• Ambient diffraction temperature: 294 K
• Number of distinct elements: 5
• 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: 0.0694
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections: 0.0948
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No