Information card for entry 4324666

Structure parameters

• Formula: C21 H18 N2 Pt S7
• Calculated formula: C21 H18 N2 Pt S7
• Title of publication: Redox-Switchable Chromophores Based on Metal (Ni, Pd, Pt) Mixed-Ligand Dithiolene Complexes Showing Molecular Second-Order Nonlinear-Optical Activity
• Authors of publication: Davide Espa; Luca Pilia; Luciano Marchiò; Maria Laura Mercuri; Angela Serpe; Alberto Barsella; Alain Fort; Simon J. Dalgleish; Neil Robertson; Paola Deplano
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 2058 - 2060
• a: 7.969 ± 0.001 Å
• b: 12.082 ± 0.001 Å
• c: 13.983 ± 0.001 Å
• α: 75.645 ± 0.001°
• β: 75.462 ± 0.002°
• γ: 72.984 ± 0.001°
• Cell volume: 1223.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections included in the refinement: 0.0503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No