Information card for entry 4332607

Structure parameters

• Formula: C78 H94 N4 P2 Ru
• Calculated formula: C78 H94 N4 P2 Ru
• SMILES: [P](C12CC3CC(C2)CC(C1)C3)[Ru]123(n4c5=C(c6ccc(=C(c7ccc(C(=c8ccc(C(=c4cc5)c4ccc(cc4)C)[n]28)c2ccc(cc2)C)n17)c1ccc(cc1)C)[n]36)c1ccc(cc1)C)[P]C12CC3CC(C1)CC(C3)C2.CCCCC.CCCCC
• 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: 11.194 ± 0.002 Å
• b: 11.597 ± 0.002 Å
• c: 14.722 ± 0.003 Å
• α: 78.01 ± 0.03°
• β: 78.97 ± 0.03°
• γ: 72.7 ± 0.03°
• Cell volume: 1767.6 ± 0.7 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0465
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No