Information card for entry 7217640

Structure parameters

• Formula: C28 H32 K2 Mn O26 S4
• Calculated formula: C28 H32 K2 Mn O26 S4
• SMILES: C(=O)(c1ccc(S(=O)(O[Mn](OS(c2ccc(C(=O)O)cc2)(=O)=O)(OS(=O)(=O)c2ccc(C(=O)O)cc2)(OS(=O)(=O)c2ccc(C(=O)O)cc2)([OH2])[OH2])=O)cc1)O.[K+].[K+].O.O.O.O
• Title of publication: Preparation and topological properties of two structures with p-sulfobenzoic ligand and Zn2+ and Mn2+ ions.
• Authors of publication: Franco, Chris Hebert J.; Aglio, Renata C.; Corrêa, Charlane Cimini; Diniz, Renata
• Journal of publication: RSC Advances
• Year of publication: 2014
• a: 8.055 ± 0.0005 Å
• b: 10.152 ± 0.0007 Å
• c: 12.541 ± 0.0008 Å
• α: 99.084 ± 0.006°
• β: 95.358 ± 0.005°
• γ: 106.09 ± 0.006°
• Cell volume: 962.78 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0904
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No