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Information card for entry 7028429
Preview
| Coordinates | 7028429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H38 Cl Cu N5 P |
|---|---|
| Calculated formula | C42 H38 Cl Cu N5 P |
| Title of publication | Halide impact on emission of mononuclear copper(i) complexes with pyrazolylpyrimidine and triphenylphosphine. |
| Authors of publication | Vinogradova, Katerina A.; Plyusnin, Victor F.; Kupryakov, Arkady S.; Rakhmanova, Marianna I.; Pervukhina, Natalia V.; Naumov, Dmitrii Yu; Sheludyakova, Lilia A.; Nikolaenkova, Elena B.; Krivopalov, Viktor P.; Bushuev, Mark B. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 7 |
| Pages of publication | 2953 - 2960 |
| a | 11.1677 ± 0.0004 Å |
| b | 13.1184 ± 0.0007 Å |
| c | 13.315 ± 0.0007 Å |
| α | 69.397 ± 0.001° |
| β | 79.404 ± 0.001° |
| γ | 82.514 ± 0.001° |
| Cell volume | 1790.22 ± 0.15 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0494 |
| Residual factor for significantly intense reflections | 0.033 |
| Weighted residual factors for significantly intense reflections | 0.0756 |
| Weighted residual factors for all reflections included in the refinement | 0.0799 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301848 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure. |
7028429.cif |
| 179990 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84. |
7028429.cif |
| 105315 | 2014-03-12 | cif/ Adding structures of 7028428, 7028429, 7028430 via cif-deposit CGI script. |
7028429.cif |
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Users of the data should acknowledge the original authors of the
structural data.