Information card for entry 7040995

Structure parameters

• Common name: [(OEP)Fe(NO)(5-MeIm)]SbF6
• Formula: C42 H45.5 F9 Fe N8 O5 Sb1.5
• Calculated formula: C42 H45.5 F9 Fe N8 O5 Sb1.5
• Title of publication: Over or under: hydride attack at the metal versus the coordinated nitrosyl ligand in ferric nitrosyl porphyrins.
• Authors of publication: Abucayon, E. G.; Khade, R. L.; Powell, D. R.; Shaw, M. J.; Zhang, Y.; Richter-Addo, G B
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 45
• Pages of publication: 18259 - 18266
• a: 12.0388 ± 0.001 Å
• b: 14.0169 ± 0.0012 Å
• c: 16.3482 ± 0.0014 Å
• α: 67.9924 ± 0.0014°
• β: 68.7999 ± 0.0014°
• γ: 64.7066 ± 0.0014°
• Cell volume: 2244.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No