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Information card for entry 7029225
Preview
| Coordinates | 7029225.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H51 Cl F6 N15 Ni O9 P |
|---|---|
| Calculated formula | C56 H51 Cl F6 N15 Ni O9 P |
| Title of publication | Synthesis, structural, photophysical and electrochemical studies of various d-metal complexes of btp [2,6-bis(1,2,3-triazol-4-yl)pyridine] ligands that give rise to the formation of metallo-supramolecular gels. |
| Authors of publication | Byrne, Joseph P.; Kitchen, Jonathan A.; Kotova, Oxana; Leigh, Vivienne; Bell, Alan P.; Boland, John J.; Albrecht, Martin; Gunnlaugsson, Thorfinnur |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2014 |
| Journal volume | 43 |
| Journal issue | 1 |
| Pages of publication | 196 - 209 |
| a | 14.4083 ± 0.001 Å |
| b | 14.8238 ± 0.0011 Å |
| c | 16.2001 ± 0.0012 Å |
| α | 108.541 ± 0.003° |
| β | 91.506 ± 0.003° |
| γ | 115.862 ± 0.003° |
| Cell volume | 2896.2 ± 0.4 Å3 |
| Cell temperature | 108 ± 2 K |
| Ambient diffraction temperature | 108 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0517 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1257 |
| Weighted residual factors for all reflections included in the refinement | 0.1274 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7029225.cif |
| 179998 | 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 7/02/92. |
7029225.cif |
| 105547 | 2014-03-12 | cif/ Adding structures of 7029223, 7029224, 7029225 via cif-deposit CGI script. |
7029225.cif |
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Users of the data should acknowledge the original authors of the
structural data.