Information card for entry 2012826

Structure parameters

• Chemical name: Tetraaqua(1,10-phenanthroline-κ^2^N,N')manganese(II) sulfate dihydrate
• Formula: C12 H20 Mn N2 O10 S
• Calculated formula: C12 H20 Mn N2 O10 S
• SMILES: S(=O)(=O)([O-])[O-].c1ccc2ccc3c4[n]([Mn]([n]1c24)([OH2])([OH2])([OH2])[OH2])ccc3.O.O
• Title of publication: Tetraaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II) sulfate dihydrate
• Authors of publication: Ma, Chengbing; Chen, Feng; Zhang, Xiaofeng; Chen,Changneng; Liu, Qiutian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 7
• Pages of publication: m401 - m403
• a: 8.8713 ± 0.0002 Å
• b: 18.5116 ± 0.0001 Å
• c: 22.1042 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3629.99 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes