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Information card for entry 7020719
Preview
| Coordinates | 7020719.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H35 N3 O |
|---|---|
| Calculated formula | C26 H35 N3 O |
| SMILES | c1(cc(c2ccccn2)[nH]n1)c1ccc(cc1)OCCCCCCCCCCCC |
| Title of publication | Silver-pyrazole complexes as hybrid multifunctional materials with metallomesogenic and photoluminescent behaviour. |
| Authors of publication | Ovejero, Paloma; Asensio, Eduardo; Heras, José Vicente; Campo, José Antonio; Cano, Mercedes; Torres, M. Rosario; Núñez, Cristina; Lodeiro, Carlos |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 6 |
| Pages of publication | 2107 - 2120 |
| a | 5.7919 ± 0.0006 Å |
| b | 11.3124 ± 0.0012 Å |
| c | 18.4842 ± 0.0019 Å |
| α | 83.323 ± 0.002° |
| β | 87.083 ± 0.002° |
| γ | 83.546 ± 0.002° |
| Cell volume | 1194.4 ± 0.2 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1403 |
| Residual factor for significantly intense reflections | 0.0499 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1231 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.961 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
7020719.cif |
| 179912 | 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 7/02/07. |
7020719.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7020719.cif |
| 73649 | 2013-02-20 | cif/ Adding structures of 7020719, 7020720 via cif-deposit CGI script. |
7020719.cif |
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Users of the data should acknowledge the original authors of the
structural data.