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Information card for entry 7016528
Preview
Coordinates | 7016528.cif |
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Original paper (by DOI) | HTML |
Formula | C37 H28 Cd I2 N4 S |
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Calculated formula | C37 H28 Cd I2 N4 S |
SMILES | I[Cd]12(I)[n]3ccccc3c3cc(cc([n]13)c1[n]2cccc1)c1ccc(cc1)/C=C/c1cc(c2cc1)Sc1c(N2CC)cccc1 |
Title of publication | Studies of the isomerization and photophysical properties of a novel 2,2':6',2''-terpyridine-based ligand and its complexes. |
Authors of publication | Li, Dongmei; Zhang, Qiong; Wang, Peng; Wu, Jieying; Kan, Yuhe; Tian, Yupeng; Zhou, Hongping; Yang, Jiaxiang; Tao, Xutang; Jiang, Minhua |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2011 |
Journal volume | 40 |
Journal issue | 32 |
Pages of publication | 8170 - 8178 |
a | 19.953 ± 0.005 Å |
b | 13.943 ± 0.005 Å |
c | 27.347 ± 0.005 Å |
α | 90 ± 0.005° |
β | 106.629 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 7290 ± 3 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1858 |
Residual factor for significantly intense reflections | 0.0878 |
Weighted residual factors for significantly intense reflections | 0.223 |
Weighted residual factors for all reflections included in the refinement | 0.2682 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7016528.html
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