Information card for entry 4305495

Structure parameters

• Formula: C72 H42 Cl8 F20 N8 P2 Ru
• Calculated formula: C72 H42 Cl8 F20 N8 P2 Ru
• SMILES: N#CCC[P](c1ccccc1)([Ru]123(n4c5=C(c6ccc(=C(c7ccc(n17)C(=c1ccc(C(=c4cc5)c4c(F)c(F)c(F)c(F)c4F)[n]21)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)[n]36)c1c(F)c(F)c(F)c(F)c1F)[P](CCC#N)(CCC#N)c1ccccc1)CCC#N.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 13.205 ± 0.003 Å
• b: 19.241 ± 0.004 Å
• c: 15.281 ± 0.003 Å
• α: 90°
• β: 111.03 ± 0.03°
• γ: 90°
• Cell volume: 3624 ± 1.5 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 7
• 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: 0.0724
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No