Information card for entry 1542515

Structure parameters

• Chemical name: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate
• Formula: C38 H30 N4 O12 Pt S2
• Calculated formula: C38 H30 N4 O12 Pt S2
• SMILES: [Pt]12([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.S(=O)(=O)([O-])c1cc(ccc1)C(=O)O.S(=O)(=O)([O-])c1cc(C(=O)O)ccc1.O.O
• Title of publication: Bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(3-carboxybenzenesulfonate) dihydrate
• Authors of publication: Liu, Jing; Zhu, Long-Guan
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 2
• Pages of publication: x160211
• a: 6.9957 ± 0.0007 Å
• b: 12.0819 ± 0.001 Å
• c: 20.904 ± 0.002 Å
• α: 90°
• β: 97.296 ± 0.01°
• γ: 90°
• Cell volume: 1752.5 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes