Information card for entry 4342262

Structure parameters

• Formula: C86 H101 F6 Fe2 N8 O Sb
• Calculated formula: C86 H101 F6 Fe2 N8 O Sb
• Title of publication: Spin-State Ordering in Hydroxo-Bridged Diiron(III)bisporphyrin Complexes.
• Authors of publication: Sainna, Mala A.; Sil, Debangsu; Sahoo, Dipankar; Martin, Bodo; Rath, Sankar Prasad; Comba, Peter; de Visser, Sam P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 4
• Pages of publication: 1919 - 1930
• a: 14.91 ± 0.002 Å
• b: 27.835 ± 0.004 Å
• c: 19.579 ± 0.003 Å
• α: 90°
• β: 106.574 ± 0.003°
• γ: 90°
• Cell volume: 7788.1 ± 1.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1521
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No