Information card for entry 4103893

Structure parameters

• Common name: [Fe(TpCF3PP)(NO)(1-MeIm)]
• Formula: C52 H30 F12 Fe N7 O
• Calculated formula: C52 H30 F12 Fe N7 O
• Title of publication: Mapping NO Movements in Crystalline [Fe(Porph)(NO)(1-MeIm)]
• Authors of publication: Nathan J. Silvernail; Alexander Barabanschikov; J. Timothy Sage; Bruce C. Noll; W. Robert Scheidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 2131 - 2140
• a: 12.0195 ± 0.0002 Å
• b: 12.5326 ± 0.0002 Å
• c: 15.5689 ± 0.0003 Å
• α: 95.222 ± 0.001°
• β: 101.446 ± 0.001°
• γ: 94.253 ± 0.001°
• Cell volume: 2278.81 ± 0.07 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0589
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No