Information card for entry 4303685

Structure parameters

• Formula: C2 H16 N6 O9 Pt S2
• Calculated formula: C2 H16 N6 O9 Pt S2
• SMILES: [Pt](OS(=O)(=O)[O-])(N=O)([NH3])([NH3])([NH3])[NH3].S(=O)(=O)([O-])O.N#CC
• Title of publication: Photogeneration of Nitrosyl Linkage Isomers in Octahedrally Coordinated Platinum Complexes in the Red Spectral Range
• Authors of publication: Dominik Schaniel; Theo Woike; Norwid-R. Behrnd; Jürg Hauser; Karl W. Krämer; Teodora Todorova; Bernard Delley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 11399 - 11406
• a: 7.7441 ± 0.0003 Å
• b: 19.2289 ± 0.0006 Å
• c: 9.5902 ± 0.0003 Å
• α: 90°
• β: 91.659 ± 0.001°
• γ: 90°
• Cell volume: 1427.48 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0259
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No