Information card for entry 7012308

Structure parameters

• Formula: C21 H30 Cl N Pt S
• Calculated formula: C21 H30 Cl N Pt S
• SMILES: [Pt]1(Cl)([S](C)C)([N](Cc2c1cccc2)=Cc1c(cc(cc1C)C)C)(C)C
• Title of publication: Isomerization in substitution processes of cyclometallated dimethylhaloplatinum(iv) complexesElectronic supplementary information (ESI) available: kobs, the axMe signal intensity of 1, the 1H NMR spectrum of 3, and the temperature evolution of 1H NMR signals of SMe2 in isomers of 5. See http://www.rsc.org/suppdata/dt/b2/b209844j/
• Authors of publication: Font-Bardía, Mercè; Gallego, Carlos; González, Gabriel; Martinez, Manuel; Merbach, André E.; Solans, Xavier
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1106
• a: 16.15 ± 0.02 Å
• b: 11.726 ± 0.006 Å
• c: 23.075 ± 0.018 Å
• α: 90°
• β: 94.16 ± 0.08°
• γ: 90°
• Cell volume: 4358 ± 7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No