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Information card for entry 4511544
Preview
| Coordinates | 4511544.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C26 H34 Cl2 N10 O5 Zn2 |
|---|---|
| Calculated formula | C26 H34 Cl2 N10 O5 Zn2 |
| SMILES | [Zn]12([N](=Cc3c(O2)ccc(Cl)c3)CC[N]21CCOCC2)(N=N#N)N=N#[N][Zn]1(Oc2c(cc(Cl)cc2)C=[N]1CCN1CCOCC1)[OH2] |
| Title of publication | Combined Experimental and Theoretical Investigation of Ligand and Anion Controlled Complex Formation with Unprecedented Structural Features and Photoluminescence Properties of Zinc(II) Complexes |
| Authors of publication | Chakraborty, Prateeti; Adhikary, Jaydeep; Samanta, Sugata; Escudero, Daniel; Castro, Abril C.; Swart, Marcel; Ghosh, Sanjib; Bauzá, Antonio; Frontera, Antonio; Zangrando, Ennio; Das, Debasis |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 8 |
| Pages of publication | 4111 |
| a | 8.8137 ± 0.0007 Å |
| b | 14.6565 ± 0.0011 Å |
| c | 25.2937 ± 0.0019 Å |
| α | 90° |
| β | 96.03 ± 0.003° |
| γ | 90° |
| Cell volume | 3249.3 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0997 |
| Residual factor for significantly intense reflections | 0.0623 |
| Weighted residual factors for significantly intense reflections | 0.1425 |
| Weighted residual factors for all reflections included in the refinement | 0.1599 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179662 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/15. |
4511544.cif |
| 122821 | 2014-09-06 | cif/ Updating files of 4511541, 4511542, 4511543, 4511544 Original log message: Adding full bibliography for 4511541--4511544.cif. |
4511544.cif |
| 119577 | 2014-07-08 | cif/ Adding structures of 4511541, 4511542, 4511543, 4511544 via cif-deposit CGI script. |
4511544.cif |
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