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Information card for entry 7059817
Preview
| Coordinates | 7059817.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C126 H102 Cu6 F18 N24 O6 Si3 |
|---|---|
| Calculated formula | C126 H102 Cu6 F18 N24 O6 Si3 |
| Title of publication | Anion-templated assembly of multinuclear copper(ii)–triazole complexes |
| Authors of publication | Gopalakrishnan, Mohan; Krittametaporn, Nuttaporn; Yoshinari, Nobuto; Konno, Takumi; Sangtrirutnugul, Preeyanuch |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2020 |
| Journal volume | 44 |
| Journal issue | 32 |
| Pages of publication | 13764 - 13770 |
| a | 23.36997 ± 0.00013 Å |
| b | 23.36997 ± 0.00013 Å |
| c | 23.36997 ± 0.00013 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 12763.6 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 205 |
| Hermann-Mauguin space group symbol | P a -3 |
| Hall space group symbol | -P 2ac 2ab 3 |
| Residual factor for all reflections | 0.07 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0985 |
| Weighted residual factors for all reflections included in the refinement | 0.105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.4115 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7059817.cif |
| 257684 | 2020-10-06 | cif/ Updating files of 7059816, 7059817 Original log message: Adding full bibliography for 7059816--7059817.cif. |
7059817.cif |
| 256132 | 2020-09-06 | cif/ Updating files of 7059816, 7059817 Original log message: Adding full bibliography for 7059816--7059817.cif. |
7059817.cif |
| 254572 | 2020-07-25 | cif/ Adding structures of 7059816, 7059817 via cif-deposit CGI script. |
7059817.cif |
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Users of the data should acknowledge the original authors of the
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