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Information card for entry 7016531
Preview
Coordinates | 7016531.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C74 H58 Cl2 Co N8 O8 S2 |
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Calculated formula | C74 H58 Cl2 Co N8 O8 S2 |
SMILES | [Co]1234([n]5ccccc5c5[n]1c(cc(c5)c1ccc(cc1)/C=C/c1ccc5N(c6c(Sc5c1)cccc6)CC)c1[n]2cccc1)[n]1ccccc1c1[n]3c(cc(c1)c1ccc(cc1)CCc1cc2Sc3ccccc3N(c2cc1)CC)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
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 | 11.0672 ± 0.0007 Å |
b | 15.9039 ± 0.0009 Å |
c | 19.6022 ± 0.0012 Å |
α | 105.422 ± 0.004° |
β | 100.55 ± 0.004° |
γ | 94.827 ± 0.004° |
Cell volume | 3237.5 ± 0.4 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 | 0.199 |
Residual factor for significantly intense reflections | 0.0801 |
Weighted residual factors for significantly intense reflections | 0.1881 |
Weighted residual factors for all reflections included in the refinement | 0.2446 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/7016531.html
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Users of the data should acknowledge the original authors of the
structural data.