Information card for entry 1515424

Structure parameters

• Formula: C13 H14.33 Cl2 N5 O0.67 Pt
• Calculated formula: C13 H13 Cl2 N5 O0.666667 Pt
• SMILES: Cn1ccc2c3cccc4c5ccn(C)[n]5[Pt]([n]34)(Cl)[n]12.[Cl-].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: 12.588 ± 0.002 Å
• b: 18.736 ± 0.003 Å
• c: 20.805 ± 0.004 Å
• α: 90°
• β: 106.39 ± 0.02°
• γ: 90°
• Cell volume: 4707.4 ± 1.5 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: 0.0806
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No