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Information card for entry 4512083
Preview
| Coordinates | 4512083.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H19 Br Cu N S2 |
|---|---|
| Calculated formula | C17 H19 Br Cu N S2 |
| Title of publication | Copper(I) Halides (X = Br, I) Coordinated to Bis(arylthio)methane Ligands: Aryl Substitution and Halide Effects on the Dimensionality, Cluster Size, and Luminescence Properties of the Coordination Polymers |
| Authors of publication | Knorr, Michael; Khatyr, Abderrahim; Dini Aleo, Ahmed; El Yaagoubi, Anass; Strohmann, Carsten; Kubicki, Marek M.; Rousselin, Yoann; Aly, Shawkat M.; Fortin, Daniel; Lapprand, Antony; Harvey, Pierre D. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 11 |
| Pages of publication | 5373 |
| a | 13.6576 ± 0.0004 Å |
| b | 16.2552 ± 0.0005 Å |
| c | 16.3334 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3626.13 ± 0.19 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0278 |
| Residual factor for significantly intense reflections | 0.02 |
| Weighted residual factors for significantly intense reflections | 0.046 |
| Weighted residual factors for all reflections included in the refinement | 0.0483 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα~1~ |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179667 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/20. |
4512083.cif |
| 126848 | 2014-11-11 | cif/ Updating files of 4512075, 4512076, 4512077, 4512078, 4512079, 4512080, 4512081, 4512082, 4512083, 4512084, 4512085, 4512086, 4512087, 4512088, 4512089, 4512090, 4512091, 4512092 Original log message: Adding full bibliography for 4512075--4512092.cif. |
4512083.cif |
| 124962 | 2014-10-07 | cif/ Adding structures of 4512075, 4512076, 4512077, 4512078, 4512079, 4512080, 4512081, 4512082, 4512083 via cif-deposit CGI script. |
4512083.cif |
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Users of the data should acknowledge the original authors of the
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