Information card for entry 8107622

Structure parameters

• Formula: C13 H13 Cl N2 O3 Pt S
• Calculated formula: C13 H13 Cl N2 O3 Pt S
• SMILES: [Pt]1(c2c(c3[n]1cc(N(=O)=O)cc3)cccc2)(Cl)[S](=O)(C)C
• Title of publication: Crystal structure of chlorido-(5-nitro-2-phenylpyridine-κ2 N,C)-[(methylsulfinyl)methane-κ1 S]platinum(II), C13H13ClN2O3PtS
• Authors of publication: Zou, Hao; Tan, Wei; Zhang, Jian-Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 5
• Pages of publication: 999 - 1000
• a: 7.9405 ± 0.0008 Å
• b: 18.0744 ± 0.0018 Å
• c: 21.513 ± 0.002 Å
• α: 90°
• β: 98.781 ± 0.001°
• γ: 90°
• Cell volume: 3051.4 ± 0.5 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No