Information card for entry 2228154

Structure parameters

• Chemical name: μ-Oxido-bis({2,2'-[<i>o</i>- phenylenebis(nitrilomethylidyne)]diphenolato}iron(III)) methanol monosolvate dihydrate
• Formula: C41 H36 Fe2 N4 O8
• Calculated formula: C41 H34 Fe2 N4 O8
• Title of publication: μ-Oxido-bis({2,2'-[<i>o</i>-phenylenebis(nitrilomethylidyne)]diphenolato}iron(III)) methanol monosolvate dihydrate
• Authors of publication: Yan, Jia-Hao; Shen, Xiao-Ping; Zhou, Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1090
• a: 13.042 ± 0.003 Å
• b: 13.249 ± 0.003 Å
• c: 13.724 ± 0.003 Å
• α: 116.6 ± 0.03°
• β: 110.5 ± 0.03°
• γ: 93.8 ± 0.03°
• Cell volume: 1914.4 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes