Information card for entry 4509821

Structure parameters

• Formula: C47 H56 Cl2 N6 O10 Pt2 S2
• Calculated formula: C47 H56 Cl2 N6 O10 Pt2 S2
• SMILES: [Pt]12([n]3c(cccc3)S[Pt]3(Sc4[n]2cccc4)[n]2ccc(cc2c2[n]3ccc(c2)C(C)(C)C)C(C)(C)C)[n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.O
• Title of publication: Structural Isomerism of Luminescent Dinuclear Pt(II)-Thiolate Diimines
• Authors of publication: Tzeng, Biing-Chiau; Chiu, Tse-Hao; Lin, Sun-Yi; Yang, Chieh-Min; Chang, Tsung-Yi; Huang, Cyong-Huei; Chang, A. Hsiu-Hua; Lee, Gene-Hsiang
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 12
• Pages of publication: 5356
• a: 14.0251 ± 0.0011 Å
• b: 12.3473 ± 0.001 Å
• c: 34.0632 ± 0.0019 Å
• α: 90°
• β: 113.738 ± 0.003°
• γ: 90°
• Cell volume: 5399.7 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1412
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No