Information card for entry 2205066

Structure parameters

• Chemical name: Aqua(bromomaleatoκ-O)bis(phenanthroline-κ^2^N,N')manganese(II) monohydrate
• Formula: C28 H21 Br Mn N4 O6
• Calculated formula: C28 H21 Br Mn N4 O6
• Title of publication: Aqua(bromomaleato-κ<i>O</i>)bis(phenanthroline-κ^2^<i>N,N</i>')manganese(II) monohydrate
• Authors of publication: Dai-Xi Li; Duan-Jun Xu; Yuan-Zhi Xu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: m271 - m273
• a: 12.2038 ± 0.0004 Å
• b: 12.6561 ± 0.0004 Å
• c: 16.9518 ± 0.0006 Å
• α: 90°
• β: 95.714 ± 0.001°
• γ: 90°
• Cell volume: 2605.24 ± 0.15 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.054
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes