Information card for entry 4314192

Structure parameters

• Common name: [Fe(TPP)(NO)(1-MeIm)].CHCl3
• Formula: C49 H35 Cl3 Fe N7 O
• Calculated formula: C49 H35 Cl3 Fe N7 O
• Title of publication: Five- to Six-Coordination in (Nitrosyl)iron(II) Porphyrinates: Effects of Binding the Sixth Ligand
• Authors of publication: Graeme R. A. Wyllie; Charles E. Schulz; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 5722 - 5734
• a: 17.5274 ± 0.0008 Å
• b: 25.2009 ± 0.0011 Å
• c: 9.6227 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4250.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No