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Information card for entry 7016530
Preview
Coordinates | 7016530.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C75 H58 Cl4 Cu N8 O8 S2 |
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Calculated formula | C75 H58 Cl4 Cu N8 O8 S2 |
SMILES | [Cu]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)/C=C/c1cc5Sc6ccccc6N(c5cc1)CC)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(cc1)/C=C/c1cc2Sc3ccccc3N(c2cc1)CC)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].C(Cl)Cl |
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 | 13.8465 ± 0.0004 Å |
b | 14.0872 ± 0.0004 Å |
c | 20.0791 ± 0.0009 Å |
α | 105.473 ± 0.003° |
β | 98.16 ± 0.003° |
γ | 112.461 ± 0.002° |
Cell volume | 3355 ± 0.2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.146 |
Residual factor for significantly intense reflections | 0.0716 |
Weighted residual factors for significantly intense reflections | 0.1896 |
Weighted residual factors for all reflections included in the refinement | 0.2305 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7016530.html
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Users of the data should acknowledge the original authors of the
structural data.