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Information card for entry 7700025
Preview
| Coordinates | 7700025.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H12 Cu N2 O8 S2 |
|---|---|
| Calculated formula | C8 H12 Cu N2 O8 S2 |
| Title of publication | endo- versus exo-Cyclic coordination in copper complexes with methylthiazolylcarboxylate tacn derivatives. |
| Authors of publication | Guillou, Amaury; Lima, Luís M P; Esteban-Gómez, David; Delgado, Rita; Platas-Iglesias, Carlos; Patinec, Véronique; Tripier, Raphaël |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 24 |
| Pages of publication | 8740 - 8755 |
| a | 9.9681 ± 0.0004 Å |
| b | 7.6471 ± 0.0003 Å |
| c | 9.138 ± 0.0005 Å |
| α | 90° |
| β | 96.069 ± 0.004° |
| γ | 90° |
| Cell volume | 692.66 ± 0.05 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0418 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0886 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288505 (current) | 2023-12-22 | Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9880. This change affected only the misspelt variants of the '_iucr_refine_instructions_details' data name. |
7700025.cif |
| 223796 | 2019-11-07 | cif/ Updating files of 7700023, 7700024, 7700025 Original log message: Adding full bibliography for 7700023--7700025.cif. |
7700025.cif |
| 215296 | 2019-05-18 | cif/ Adding structures of 7700023, 7700024, 7700025 via cif-deposit CGI script. |
7700025.cif |
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Users of the data should acknowledge the original authors of the
structural data.