Information card for entry 1515426

Structure parameters

• Formula: C13 H19 Cl2 N5 O3 Pt S
• Calculated formula: C13 H19 Cl2 N5 O3 Pt S
• SMILES: [Pt]12([n]3c([nH]cc3)c3[n]2c(c2[n]1cc[nH]2)ccc3)Cl.[Cl-].O.O.S(C)(C)=O
• Title of publication: Single microcrystals of organoplatinum(II) complexes with high charge-carrier mobility
• Authors of publication: Che, Chi-Ming; Chow, Cheuk-Fai; Yuen, Mai-Yan; Roy, V. A. L.; Lu, Wei; Chen, Yong; Chui, Stephen Sin-Yin; Zhu, Nianyong
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 216
• a: 9.474 ± 0.0003 Å
• b: 7.1809 ± 0.0002 Å
• c: 27.9371 ± 0.0008 Å
• α: 90°
• β: 91.94 ± 0.001°
• γ: 90°
• Cell volume: 1899.52 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0483
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.12
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No