Information card for entry 7217639

Structure parameters

• Formula: C28 H32 K2 O26 S4 Zn
• Calculated formula: C28 H32 K2 O26 S4 Zn
• SMILES: [K+].C(=O)(c1ccc(S(=O)(=O)[O-])cc1)O.O.[OH2][Zn](OS(=O)(=O)c1ccc(C(=O)O)cc1)(OS(=O)(=O)c1ccc(C(=O)O)cc1)([OH2])([OH2])[OH2].[K+].C(=O)(c1ccc(S(=O)(=O)[O-])cc1)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: 8.08 ± 0.0004 Å
• b: 11.385 ± 0.0006 Å
• c: 12.282 ± 0.0006 Å
• α: 97.402 ± 0.004°
• β: 106.53 ± 0.004°
• γ: 110.445 ± 0.005°
• Cell volume: 981.61 ± 0.1 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: 0.0712
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No