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Information card for entry 4342365
Preview
| Coordinates | 4342365.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C48 H64 Br2 Cu2 N4 P4 |
|---|---|
| Calculated formula | C48 H64 Br2 Cu2 N4 P4 |
| SMILES | c1n(CC(C)(C)C)c2ccccc2[p]1[Cu]1([p]2cn(CC(C)(C)C)c3c2cccc3)[Br][Cu]([Br]1)([p]1cn(CC(C)(C)C)c2ccccc12)[p]1cn(CC(C)(C)C)c2c1cccc2 |
| Title of publication | π-Rich σ(2)P-Heterocycles: Bent η(1)-P- and μ(2)-P-Coordinated 1,3-Benzazaphosphole Copper(I) Halide Complexes. |
| Authors of publication | Ghalib, Mohammed; Jones, Peter G.; Schulzke, Carola; Sziebert, Dénes; Nyulászi, László; Heinicke, Joachim W. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 2117 |
| a | 8.894 ± 0.0006 Å |
| b | 9.8683 ± 0.0007 Å |
| c | 15.2708 ± 0.0009 Å |
| α | 105.61 ± 0.006° |
| β | 105.449 ± 0.006° |
| γ | 92.851 ± 0.006° |
| Cell volume | 1233.53 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.0759 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179526 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23. |
4342365.cif |
| 132864 | 2015-03-04 | cif/ Updating files of 4342364, 4342365, 4342366, 4342367, 4342368, 4342369 Original log message: Adding full bibliography for 4342364--4342369.cif. |
4342365.cif |
| 131600 | 2015-02-10 | cif/ Adding structures of 4342365, 4342366, 4342367, 4342368 via cif-deposit CGI script. |
4342365.cif |
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