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Information card for entry 7040367
Preview
Coordinates | 7040367.cif |
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Original paper (by DOI) | HTML |
Formula | C72 H75 Cu3 S3 |
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Calculated formula | C72 H75 Cu3 S3 |
SMILES | [Cu]123[Cu]4([Cu]1([S]4c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[S]3c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)[S]2c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | Copper(i) clusters with bulky dithiocarboxylate, thiolate, and selenolate ligands. |
Authors of publication | Rungthanaphatsophon, Pokpong; Barnes, Charles L.; Walensky, Justin R. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 36 |
Pages of publication | 14265 - 14276 |
a | 13.0283 ± 0.0006 Å |
b | 14.0454 ± 0.0007 Å |
c | 18.6504 ± 0.0009 Å |
α | 85.028 ± 0.004° |
β | 74.327 ± 0.004° |
γ | 65.477 ± 0.003° |
Cell volume | 2988.2 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1 |
Residual factor for significantly intense reflections | 0.0681 |
Weighted residual factors for significantly intense reflections | 0.1791 |
Weighted residual factors for all reflections included in the refinement | 0.2075 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 0.71073 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/7040367.html
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Users of the data should acknowledge the original authors of the
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