Information card for entry 2206826

Structure parameters

• Chemical name: Diaquabis(vanillinato-κ^2^O,O')manganese(II)
• Formula: C16 H18 Mn O8
• Calculated formula: C16 H18 Mn O8
• SMILES: c12cc(ccc1O[Mn]1([O]2C)([O](c2cc(ccc2O1)C=O)C)([OH2])[OH2])C=O
• Title of publication: Diaquabis(vanillinato-κ^2^<i>O</i>,<i>O</i>')manganese(II)
• Authors of publication: Jian Gao; Yu Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: m1692 - m1693
• a: 22.4629 ± 0.0005 Å
• b: 10.5743 ± 0.0002 Å
• c: 7.86 ± 0.0002 Å
• α: 90°
• β: 106.565 ± 0.0009°
• γ: 90°
• Cell volume: 1789.5 ± 0.07 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 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: 0.036
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.192
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes