Information card for entry 4304229

Structure parameters

• Common name: [Fe(TPOCH3)(NO)(1-MeIm)]
• Formula: C52 H42 Fe N7 O5
• Calculated formula: C52 H42 Fe N7 O5
• 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: 9.6306 ± 0.0002 Å
• b: 14.9689 ± 0.0003 Å
• c: 16.1424 ± 0.0004 Å
• α: 101.822 ± 0.001°
• β: 101.384 ± 0.001°
• γ: 93.877 ± 0.001°
• Cell volume: 2218.71 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No