Information card for entry 7104556

Structure parameters

• Formula: C38 H24 N6 O Pt
• Calculated formula: C38 H24 N6 O Pt
• SMILES: C(#Cc1cnc(cc1)c1ncccc1)[Pt]1([n]2c(c3ccc(c[n]13)C#C)ccc(c2)C#C)C#Cc1cnc(cc1)c1ncccc1.O
• Title of publication: Luminescence vapochromic properties of a platinum(II) complex with 5,5'-bis(trimethylsilylethynyl)-2,2'-bipyridine.
• Authors of publication: Ni, Jun; Zhang, Li-Yi; Wen, Hui-Min; Chen, Zhong-Ning
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 25
• Pages of publication: 3801 - 3803
• a: 20.479 ± 0.005 Å
• b: 11.794 ± 0.003 Å
• c: 12.66 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3057.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.1005
• Weighted residual factors for all reflections included in the refinement: 0.1115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No