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Information card for entry 7019426
Preview
| Coordinates | 7019426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | bis-[3,5,7-tri(1,2,4-triazol-4-yl)-1-azaadamantane]-triaqua- dicopper(II) Sulfate Heptahydrate |
|---|---|
| Formula | C30 H56 Cu2 N20 O18 S2 |
| Calculated formula | C30 H56 Cu2 N20 O18 S2 |
| Title of publication | 1,2,4-Triazole functionalized adamantanes: a new library of polydentate tectons for designing structures of coordination polymers. |
| Authors of publication | Senchyk, Ganna A.; Lysenko, Andrey B.; Boldog, Ishtvan; Rusanov, Eduard B.; Chernega, Alexander N.; Krautscheid, Harald; Domasevitch, Konstantin V. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 28 |
| Pages of publication | 8675 - 8689 |
| a | 21.8567 ± 0.0015 Å |
| b | 11.5525 ± 0.0009 Å |
| c | 21.4604 ± 0.0014 Å |
| α | 90° |
| β | 117.611 ± 0.004° |
| γ | 90° |
| Cell volume | 4801.6 ± 0.6 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 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 | 0.0569 |
| Residual factor for significantly intense reflections | 0.0355 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0838 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.879 |
| 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. |
7019426.cif |
| 179898 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/94. |
7019426.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7019426.cif |
| 62866 | 2012-07-09 | cif/ Adding structures of 7019418, 7019419, 7019420, 7019421, 7019422, 7019423, 7019424, 7019425, 7019426, 7019427, 7019428, 7019429, 7019430 via cif-deposit CGI script. |
7019426.cif |
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Users of the data should acknowledge the original authors of the
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