Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4512084
Preview
| Coordinates | 4512084.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H12 Cu2 I2 S2 |
|---|---|
| Calculated formula | C13 H12 Cu2 I2 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 | 20.8678 ± 0.0005 Å |
| b | 11.6643 ± 0.0004 Å |
| c | 15.5812 ± 0.0005 Å |
| α | 90° |
| β | 119.489 ± 0.001° |
| γ | 90° |
| Cell volume | 3301.26 ± 0.18 Å3 |
| Cell temperature | 115 ± 2 K |
| Ambient diffraction temperature | 115 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0296 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.061 |
| Weighted residual factors for all reflections included in the refinement | 0.0625 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.11 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
4512084.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. |
4512084.cif |
| 124963 | 2014-10-07 | cif/ Adding structures of 4512084, 4512085, 4512086, 4512087, 4512088, 4512089, 4512090, 4512091, 4512092 via cif-deposit CGI script. |
4512084.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.