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Information card for entry 7229293
Preview
Coordinates | 7229293.cif |
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Original paper (by DOI) | HTML |
Formula | C65 H52 N6 Pt |
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Calculated formula | C65 H52 N6 Pt |
SMILES | [Pt]12([n]3c(c4cc(cc(c5c1cccc5)[n]24)c1ccc(cc1)n1c2ccc(cc2c2c1ccc(c2)C(C)(C)C)C(C)(C)C)cccc3)C#Cc1ccc(cc1)c1cc(c2ccccn2)nc(c1)c1ccccn1 |
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 | 9.7741 ± 0.0019 Å |
b | 44.237 ± 0.008 Å |
c | 11.821 ± 0.002 Å |
α | 90° |
β | 99.749 ± 0.004° |
γ | 90° |
Cell volume | 5037.3 ± 1.6 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0783 |
Residual factor for significantly intense reflections | 0.0529 |
Weighted residual factors for significantly intense reflections | 0.1193 |
Weighted residual factors for all reflections included in the refinement | 0.1282 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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