Information card for entry 7105202

Structure parameters

• Formula: C58 H100 Fe N14 O6
• Calculated formula: C58 H88 Fe N14 O6
• Title of publication: Molecular tectonics: crystal engineering of mixed valence Fe(II)/Fe(III) solid solutions.
• Authors of publication: Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 6
• Pages of publication: 868 - 870
• a: 11.11 ± 0.0008 Å
• b: 17.7957 ± 0.0011 Å
• c: 18.078 ± 0.0013 Å
• α: 70.187 ± 0.003°
• β: 83.944 ± 0.003°
• γ: 80.834 ± 0.003°
• Cell volume: 3314.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.2242
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2042
• Weighted residual factors for all reflections included in the refinement: 0.2613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No