Information card for entry 2230628

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[aqua(formato-κ<i>O</i>)(1,10-phenanthroline- κ^2^<i>N</i>,<i>N'</i>)manganese(II)]-μ-formato-κ^2^<i>O</i>:<i>O'</i>] monohydrate]
• Formula: C14 H14 Mn N2 O6
• Calculated formula: C14 H14 Mn N2 O6
• SMILES: [Mn]1([n]2cccc3ccc4ccc[n]1c4c23)(OC=O)(OC=O)([OH2])[O]=CO[Mn]1([n]2cccc3ccc4ccc[n]1c4c23)(OC=O)[OH2].O.O
• Title of publication: <i>catena</i>-Poly[[[aqua(formato-κ<i>O</i>)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-formato-κ^2^<i>O</i>:<i>O</i>'] monohydrate]
• Authors of publication: Xu, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m893
• a: 19.26 ± 0.004 Å
• b: 12.161 ± 0.002 Å
• c: 6.5493 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1534 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes