Information card for entry 4103895

Structure parameters

• Common name: [Fe(TPP)(NO)(1-MeIm)].CHCl3
• Formula: C48.88 H34.88 Cl2.64 Fe N7 O
• Calculated formula: C48.8813 H34.8813 Cl2.6439 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: 9.6224 ± 0.0002 Å
• b: 17.514 ± 0.0004 Å
• c: 25.1564 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4239.53 ± 0.17 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: 0.0469
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No