Information card for entry 4103894

Structure parameters

• Common name: [Fe(TpNO2FP)(NO)(1-MeIm)]
• Formula: C51.43 H34.85 Cl0.57 Fe N12.62 O8.99
• Calculated formula: C51.427 H34.854 Cl0.573 Fe N12.618 O8.991
• 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: 12.566 ± 0.016 Å
• b: 13.301 ± 0.016 Å
• c: 15.773 ± 0.019 Å
• α: 65.65 ± 0.04°
• β: 85.112 ± 0.014°
• γ: 75.519 ± 0.017°
• Cell volume: 2325 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0654
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1252
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No