Information card for entry 1512609

Structure parameters

• Formula: C39 H29 N3 O2 Pt
• Calculated formula: C39 H29 N3 O2 Pt
• SMILES: [Pt]12([n]3c(c4cccc[n]24)cc(cc3c2ccccc12)C(=O)OCC)C#Cc1ccc(cc1)N(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, crystal structure and photophysical properties of cyclometalated platinum(II) complexes with enhanced intramolecular donor-acceptor (D-A) interaction
• Authors of publication: Dongfang Qiu; Qian Zhao; Hongwei Wang; Yuquan Feng; Xiaoyu Bao; Yingchen Guo; Qunzeng Huang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2012
• Journal volume: 392
• Pages of publication: 261 - 267
• a: 9.638 ± 0.004 Å
• b: 10.028 ± 0.004 Å
• c: 31.857 ± 0.012 Å
• α: 90°
• β: 90.376 ± 0.007°
• γ: 90°
• Cell volume: 3079 ± 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: 0.0814
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No