Information card for entry 4322183

Structure parameters

• Formula: C10 H14 Mn O12
• Calculated formula: C10 H14 Mn O12
• SMILES: [Mn](OC1=C(C(=O)C1=O)OC)([OH2])([OH2])(OC1=C(C(=O)C1=O)OC)([OH2])[OH2]
• Title of publication: First-Row Transition-Metal Complexes of the 1-Methoxycyclobutenedionate(1-) Ion
• Authors of publication: Hazel-Ann Hosein; Hema Jaggernauth; Bert D. Alleyne; Lincoln A. Hall; Andrew J. P. White; David J. Williams
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3716 - 3720
• a: 12.5651 ± 0.0005 Å
• b: 13.2138 ± 0.0004 Å
• c: 8.8586 ± 0.0005 Å
• α: 90°
• β: 97.094 ± 0.004°
• γ: 90°
• Cell volume: 1459.56 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.096
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.086
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No