Information card for entry 7055303

Structure parameters

• Formula: C47 H36 N2 Pt
• Calculated formula: C47 H36 N2 Pt
• SMILES: C(#Cc1ccccc1)[Pt]12(c3ccccc3c3cccc([n]13)c1cc3c(c[n]21)[C@H]1C[C@@H](C3)C1(C)C)(C#Cc1ccccc1)C#Cc1ccccc1
• Title of publication: Novel redox responsive chiral cyclometalated platinum(ii) complexes with pinene functionalized C^N^N ligands
• Authors of publication: Zhang, Xiao-Peng; Liu, Fu-Qiang; Lai, Jian-Cheng; Li, Cheng-Hui; Li, Ai-Min; You, Xiao-Zeng
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 3
• Pages of publication: 2628
• a: 14.7779 ± 0.0006 Å
• b: 14.8743 ± 0.0006 Å
• c: 16.8574 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3705.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No