Information card for entry 7056043

Structure parameters

• Formula: C23 H26 N O2 P Pt S
• Calculated formula: C23 H26 N O2 P Pt S
• SMILES: [PtH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)SC[C@H]([NH2]1)C(=O)OCC
• Title of publication: Tuning diastereoisomerism in platinum(ii) phosphino- and aminothiolato hydrido complexes
• Authors of publication: Polo, A.; Duran, J.; Juanola, R.; Real, J.; Benet-Buchholz, J.; Solà, M.; Poater, A.
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 3015
• a: 9.304 ± 0.0002 Å
• b: 10.1733 ± 0.0002 Å
• c: 13.5601 ± 0.0003 Å
• α: 73.671 ± 0.001°
• β: 87.586 ± 0.001°
• γ: 63.534 ± 0.001°
• Cell volume: 1097.46 ± 0.04 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No