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Information card for entry 4325736
Preview
Coordinates | 4325736.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C69 H54 Cu2 N6 P3 S3 |
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Calculated formula | C69 H54 Cu2 N6 P3 S3 |
SMILES | [Cu]12(n3cccc3C=[N]2c2ccccc2P(=S)(c2ccccc2)c2ccccc2)N(=Cc2n1ccc2)c1ccccc1P(=S)(c1ccccc1)c1ccccc1.[Cu]12[S]=P(c3c([N]2=Cc2n1ccc2)cccc3)(c1ccccc1)c1ccccc1 |
Title of publication | Probing Stepwise Reaction of NNP-Ligand Copper(I) Complex with Elemental Sulfur by Using N-Heterocyclic Carbene as a Trapper |
Authors of publication | Gengwen Tan; Hongping Zhu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 6979 - 6986 |
a | 13.0045 ± 0.001 Å |
b | 21.916 ± 0.0014 Å |
c | 21.3005 ± 0.0018 Å |
α | 90° |
β | 98.395 ± 0.007° |
γ | 90° |
Cell volume | 6005.7 ± 0.8 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1643 |
Residual factor for significantly intense reflections | 0.0568 |
Weighted residual factors for significantly intense reflections | 0.0821 |
Weighted residual factors for all reflections included in the refinement | 0.0975 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.788 |
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/4325736.html
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