Information card for entry 4072099

Structure parameters

• Formula: C60 H44 N4 P2 Pt
• Calculated formula: C60 H44 N4 P2 Pt
• SMILES: [Pt]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#Cc1cnc(cc1)c1ncccc1)C#Cc1cnc(cc1)c1ncccc1
• Title of publication: Preparation, Characterization, and Photophysical Properties ofcis- ortrans-PtLn2(Ln = Nd, Eu, Yb) Arrays with 5-Ethynyl-2,2′-bipyridine
• Authors of publication: Xu, Hai-Bing; Ni, Jun; Chen, Kun-Jiao; Zhang, Li-Yi; Chen, Zhong-Ning
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 21
• Pages of publication: 5665
• a: 11.1503 ± 0.0002 Å
• b: 15.0906 ± 0.0001 Å
• c: 15.5381 ± 0.0003 Å
• α: 74.182 ± 0.006°
• β: 83.504 ± 0.007°
• γ: 72.694 ± 0.004°
• Cell volume: 2400.17 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0777
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No