Information card for entry 1515425

Structure parameters

• Formula: C13 H13 Cl2 N5 O4 Pt
• Calculated formula: C13 H13 Cl2 N5 O4 Pt
• SMILES: c1n([n]2c(c1)c1cccc3c4[n]([Pt]2(Cl)[n]13)n(cc4)C)C.[O-]Cl(=O)(=O)=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: 10.669 ± 0.002 Å
• b: 10.411 ± 0.002 Å
• c: 15.689 ± 0.003 Å
• α: 90°
• β: 108.89 ± 0.03°
• γ: 90°
• Cell volume: 1648.8 ± 0.6 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• 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: 0.0201
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No