Information card for entry 2000330

Structure parameters

• Formula: C54 H55 Fe3 O20
• Calculated formula: C54 H55 Fe3 O20
• Title of publication: Structure of aqua-hexakis(μ~2~-benzoato)-bis(methanol)-μ~3~-oxo-triiron(III) benzoate ethanol methanol solvate
• Authors of publication: Lynch, V. M.; Sibert, J. W.; Sessler, J. L.; Davis, B. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 4
• Pages of publication: 866 - 869
• a: 11.591 ± 0.003 Å
• b: 13.308 ± 0.002 Å
• c: 20.154 ± 0.003 Å
• α: 96.91 ± 0.012°
• β: 96.95 ± 0.02°
• γ: 114.1 ± 0.02°
• Cell volume: 2767.1 ± 1.1 ų
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No