Information card for entry 2222075

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-9,10-dioxoanthracene-1,5- disulfonato-κ^2^<i>O</i>^1^:<i>O</i>^5^] tetrahydrate]
• Formula: C38 H30 Mn N4 O12 S2
• Calculated formula: C38 H30 Mn N4 O12 S2
• SMILES: [Mn]12([n]3c4c(ccc3)ccc3ccc[n]1c43)([n]1c3c(ccc1)ccc1ccc[n]2c31)(OS(=O)(=O)c1c2C(=O)c3c(C(=O)c2ccc1)c(ccc3)S(=O)(=O)O[Mn]12([n]3c4c(ccc3)ccc3ccc[n]1c43)[n]1c3c(ccc1)ccc1ccc[n]2c31)OS(=O)(=O)c1c2C(=O)c3cccc(S(=O)(=O)[O-])c3C(=O)c2ccc1.O.O.O.O.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[[bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)]-μ-9,10-dioxoanthracene-1,5-disulfonato-κ^2^<i>O</i>^1^:<i>O</i>^5^] tetrahydrate]
• Authors of publication: Jia, Jia; Feng, Wen; Zhao, Hong-Kun; Yang, En-Cui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: m695 - m696
• a: 8.8882 ± 0.0009 Å
• b: 9.578 ± 0.001 Å
• c: 11.016 ± 0.001 Å
• α: 105.962 ± 0.001°
• β: 103.05 ± 0.001°
• γ: 93.12 ± 0.001°
• Cell volume: 871.54 ± 0.15 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.0856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes