Information card for entry 7233126

Structure parameters

• Formula: C36 H36 Cl N3 Pt
• Calculated formula: C36 H36 Cl N3 Pt
• SMILES: [Pt]12([n]3c(c4cccc[n]24)cc(cc3c2ccccc12)c1ccc(cc1)N(c1ccccc1)CCCCCCCC)Cl
• Title of publication: Electrochromic and proton-induced phosphorescence properties of Pt(II) chlorides with arylamine functionalized cyclometalating ligands
• Authors of publication: Dongfang Qiu; Xiaoyu Bao; Qian Zhao; Yu-Quan Feng; Hongwei Wang; Kecheng Liu
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2013
• Journal volume: 1
• Pages of publication: 695 - 704
• a: 17.668 ± 0.007 Å
• b: 18.234 ± 0.008 Å
• c: 9.624 ± 0.004 Å
• α: 90°
• β: 98.597 ± 0.007°
• γ: 90°
• Cell volume: 3066 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.1254
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No