Information card for entry 8106008

Structure parameters

• Formula: C22 H22 Mn N4 O6
• Calculated formula: C22 H22 Mn N4 O6
• Title of publication: Crystal structure of poly[diaqua-bis(μ2-3-((1H-imidazol-1-yl)methyl)benzoato-κ2N:O)manganese(II)], C22H22MnN4O6
• Authors of publication: Zhang, Tian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1285 - 1286
• a: 11.9331 ± 0.0007 Å
• b: 5.5962 ± 0.0003 Å
• c: 16.0671 ± 0.0009 Å
• α: 90°
• β: 107.391 ± 0.006°
• γ: 90°
• Cell volume: 1023.91 ± 0.11 ų
• Cell temperature: 286.74 ± 0.11 K
• Ambient diffraction temperature: 286.74 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0531
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1142
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No