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Information card for entry 7034823
Preview
| Coordinates | 7034823.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C21 H26 B Cu0.5 F4 N2 O3 |
|---|---|
| Calculated formula | C21 H26 B Cu0.5 F4 N2 O3 |
| Title of publication | Copper malonamide complexes and their use in azide-alkyne cycloaddition reactions. |
| Authors of publication | Bent, S. J.; Mahon, M. F.; Webster, R. L. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 22 |
| Pages of publication | 10253 - 10258 |
| a | 9.6068 ± 0.0003 Å |
| b | 10.622 ± 0.0004 Å |
| c | 11.5052 ± 0.0005 Å |
| α | 79.821 ± 0.003° |
| β | 77.423 ± 0.003° |
| γ | 73.676 ± 0.003° |
| Cell volume | 1091.27 ± 0.07 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0504 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1356 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.055 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7034823.cif |
| 176429 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7034823.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7034823.cif |
| 138596 | 2015-06-07 | cif/ Updating files of 7034822, 7034823 Original log message: Adding full bibliography for 7034822--7034823.cif. |
7034823.cif |
| 135862 | 2015-05-09 | cif/ Adding structures of 7034822, 7034823 via cif-deposit CGI script. |
7034823.cif |
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Users of the data should acknowledge the original authors of the
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