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Information card for entry 4350816
Preview
Coordinates | 4350816.cif |
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Original paper (by DOI) | HTML |
Formula | C12 H26 Cu N2 O2 S4 |
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Calculated formula | C12 H26 Cu N2 O2 S4 |
Title of publication | The first crystallographically-characterised Cu(II) xanthate |
Authors of publication | Johnson, Andrew L.; Hill, Michael S.; Kociok-Köhn, Gabriele; Molloy, Kieran C.; Sudlow, Anna L. |
Journal of publication | Inorganic Chemistry Communications |
Year of publication | 2014 |
Journal volume | 49 |
Pages of publication | 8 - 11 |
a | 21.1341 ± 0.0003 Å |
b | 8.0275 ± 0.0001 Å |
c | 14.9706 ± 0.0002 Å |
α | 90 ± 0.0008° |
β | 133.318 ± 0.001° |
γ | 90° |
Cell volume | 1847.86 ± 0.05 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0304 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.066 |
Weighted residual factors for all reflections included in the refinement | 0.0679 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
272320 (current) | 2022-01-28 | cif/ Adding structures of 4350816 via cif-deposit CGI script. |
4350816.cif |
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Users of the data should acknowledge the original authors of the
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