Information card for entry 7105025

Structure parameters

• Formula: C90.66 H134.64 Co2 N24 O1.66
• Calculated formula: C90.66 H132 Co2 N24 O0.66
• Title of publication: In situ reduction of Fe(iii) into Fe(ii): an example of post-crystallisation transformation.
• Authors of publication: Dechambenoit, Pierre; Ferlay, Sylvie; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 44
• Pages of publication: 6798 - 6800
• a: 17.879 ± 0.0003 Å
• b: 17.879 ± 0.0003 Å
• c: 8.7221 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2414.56 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1376
• 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: No
• Has Fobs: No