Information card for entry 4305492

Structure parameters

• Formula: C52 H46 N8 P2 Ru
• Calculated formula: C52 H46 N8 P2 Ru
• SMILES: [PH2]([Ru]123(n4c5=Nc6[n]3c(=Nc3c7c(c(n13)N=c1[n]2c(N=c4c2c5cccc2)c2ccccc12)cccc7)c1ccccc61)[PH2]C12CC3CC(C1)CC(C3)C2)C12CC3CC(C1)CC(C2)C3
• Title of publication: Primary and Secondary Phosphine Complexes of Iron Porphyrins and Ruthenium Phthalocyanine: Synthesis, Structure, and P-H Bond Functionalization
• Authors of publication: Jie-Sheng Huang; Guang-Ao Yu; Jin Xie; Kwok-Ming Wong; Nianyong Zhu; Chi-Ming Che
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9166 - 9181
• a: 12.063 ± 0.002 Å
• b: 12.717 ± 0.002 Å
• c: 18.652 ± 0.004 Å
• α: 90°
• β: 92.15 ± 0.03°
• γ: 90°
• Cell volume: 2859.3 ± 0.9 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 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: 0.0838
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1871
• Weighted residual factors for all reflections included in the refinement: 0.1933
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No