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Information card for entry 7218248
Preview
Coordinates | 7218248.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C45 H39 Cu N2 O P2 S2 |
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Calculated formula | C45 H39 Cu N2 O P2 S2 |
SMILES | [Cu]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([S]=C1Nc2ccccc2N1)SC(=O)C |
Title of publication | Studies of structural diversity due to inter-/intra-molecular hydrogen bonding and photoluminescent properties in thiocarboxylate Cu(I) and Ag(I) complexes |
Authors of publication | Singh, Suryabhan; Bhattacharya, Subrato |
Journal of publication | RSC Adv. |
Year of publication | 2014 |
a | 12.6998 ± 0.0007 Å |
b | 13.0818 ± 0.0008 Å |
c | 24.7253 ± 0.0013 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4107.8 ± 0.4 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.1115 |
Residual factor for significantly intense reflections | 0.0721 |
Weighted residual factors for significantly intense reflections | 0.177 |
Weighted residual factors for all reflections included in the refinement | 0.202 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/7218248.html
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