Information card for entry 4332606

Structure parameters

• Formula: C62 H34 F20 N4 P2 Ru
• Calculated formula: C62 H34 F20 N4 P2 Ru
• SMILES: c1c2C(=c3ccc4=C(c5ccc6=C(c7ccc8n7[Ru]([n]2c(=C8c2c(F)c(F)c(F)c(F)c2F)c1)([n]56)(n34)([P]c1c(cc(cc1C)C)C)[P]c1c(cc(cc1C)C)C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: One-Pot Synthesis of Metal Primary Phosphine Complexes from OPCl2R or PCl2R. Isolation and Characterization of Primary Alkylphosphine Complexes of a Metalloporphyrin
• Authors of publication: Huang, Jie-Sheng; Yu, Guang-Ao; Xie, Jin; Zhu, Nianyong; Che, Chi-Ming
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5724 - 5726
• a: 11.103 ± 0.002 Å
• b: 11.57 ± 0.002 Å
• c: 21.84 ± 0.004 Å
• α: 90°
• β: 92.99 ± 0.03°
• γ: 90°
• Cell volume: 2801.8 ± 0.9 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.059
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No