Information card for entry 4304222

Structure parameters

• Common name: [Fe(TPFP)(NO)(1-MeIm)]
• Formula: C48 H30 F4 Fe N7 O
• Calculated formula: C48 H30 F4 Fe N7 O
• Title of publication: Reversible NO Motion in Crystalline [Fe(Porph)(1-MeIm)(NO)] Derivatives
• Authors of publication: Nathan J. Silvernail; Jeffrey W. Pavlik; Bruce C. Noll; Charles E. Schulz; W. Robert Scheidt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 912 - 920
• a: 11.5706 ± 0.0002 Å
• b: 12.2965 ± 0.0002 Å
• c: 14.2884 ± 0.0003 Å
• α: 92.995 ± 0.001°
• β: 101.992 ± 0.001°
• γ: 100.375 ± 0.001°
• Cell volume: 1947.53 ± 0.06 ų
• Cell temperature: 224 ± 2 K
• Ambient diffraction temperature: 224 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No