Information card for entry 4508852

Structure parameters

• Formula: C14 H16 Cl2 Pt S2
• Calculated formula: C14 H16 Cl2 Pt S2
• SMILES: c1c([S](C)[Pt]([S](c2ccccc2)C)(Cl)Cl)cccc1
• Title of publication: Isomerism in [MCl2(ERR‘)2] (M = Pd, Pt; E = S, Se; R, R‘ = Me, Ph)
• Authors of publication: Vigo, Ludmila; Risto, Maarit; Jahr, Esther M.; Bajorek, Tom; Oilunkaniemi, Raija; Laitinen, Risto S.; Lahtinen, Manu; Ahlgrén, Markku
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 10
• Pages of publication: 2376
• a: 6.7442 ± 0.0001 Å
• b: 7.9469 ± 0.0002 Å
• c: 8.6745 ± 0.0002 Å
• α: 88.079 ± 0.001°
• β: 71.727 ± 0.001°
• γ: 65.806 ± 0.001°
• Cell volume: 400.264 ± 0.016 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0325
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No