Information card for entry 7229292

Structure parameters

• Formula: C50 H43 N3 Pt
• Calculated formula: C50 H43 N3 Pt
• SMILES: [Pt]12([n]3c(c4c2cccc4)cc(cc3c2[n]1cccc2)c1ccc(n2c3ccc(cc3c3c2ccc(c3)C(C)(C)C)C(C)(C)C)cc1)C#Cc1ccccc1
• Title of publication: Synthesis, crystal structure, photophysical property and metal ion-binding behavior of a cyclometalated platinum(ii) terpyridylacetylide with efficient π-conjugation degree
• Authors of publication: Bi, Dongqin; Feng, Yuquan; Zhao, Qian; Wang, Hongwei; Zhu, Yongsheng; Bao, Xiaoyu; Fan, Huitao; Yu, Lintao; Yang, Qichao; Qiu, Dongfang
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 74
• Pages of publication: 46980
• a: 50.582 ± 0.012 Å
• b: 9.149 ± 0.002 Å
• c: 17.832 ± 0.004 Å
• α: 90°
• β: 104.312 ± 0.007°
• γ: 90°
• Cell volume: 7996 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0957
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No