Information card for entry 4321735

Structure parameters

• Formula: C71 H72 Fe N10 O7
• Calculated formula: C71 H71.4 Fe N10 O7
• Title of publication: Syntheses, Characterization, and Structural Studies of Several (Nitro)(nitrosyl)iron(III) Porphyrinates: [Fe(Porph)(NO2)(NO)]
• Authors of publication: Mary K. Ellison; Charles E. Schulz; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 100 - 108
• a: 12.7764 ± 0.001 Å
• b: 27.192 ± 0.002 Å
• c: 19.1716 ± 0.0008 Å
• α: 90°
• β: 105.063 ± 0.005°
• γ: 90°
• Cell volume: 6431.7 ± 0.8 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for all reflections: 0.1154
• Weighted residual factors for significantly intense reflections: 0.1078
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for significantly intense reflections: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No