Information card for entry 7233585

Structure parameters

• Formula: C31 H26 N2 Pt
• Calculated formula: C31 H26 N2 Pt
• SMILES: c12[Pt]3(C#Cc4ccccc4)[n]4c(c2cccc1)cccc4c1cc2c(c[n]31)[C@H]1C[C@@H](C2)C1(C)C
• Title of publication: Vapor-induced chiroptical switching in chiral cyclometalated platinum(II) complexes with pinene functionalized C^N^N ligands
• Authors of publication: Xiao-Peng Zhang; Tao Wu; Jian Liu; Jing-Xuan Zhang; Cheng-Hui Li; Xiao-Zeng You
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2014
• Journal volume: 2
• Pages of publication: 184 - 194
• a: 6.018 ± 0.003 Å
• b: 15.716 ± 0.008 Å
• c: 25.26 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2389 ± 2 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: 0.0825
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No