Information card for entry 1544711

Structure parameters

• Chemical name: FePY5Me2Cl_PF6
• Formula: C29 H25 Cl F6 Fe N5 P
• Calculated formula: C29 H25 Cl F6 Fe N5 P
• Title of publication: Fe, Ru, and Os Complexes with the Same Molecular Framework: Comparison of Structures, Properties and Catalytic Activities
• Authors of publication: Yoshida, Masaki; Kondo, Mio; Okamura, Masaya; Kanaike, Mari; Haesuwannakij, Setsiri; Sakurai, Hidehiro; Masaoka, Shigeyuki
• Journal of publication: Faraday Discuss.
• Year of publication: 2016
• a: 8.9422 ± 0.0003 Å
• b: 17.1851 ± 0.0006 Å
• c: 20.8463 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3203.5 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 57
• Hermann-Mauguin space group symbol: P b c m
• Hall space group symbol: -P 2c 2b
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No