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Information card for entry 1513033
Preview
| Coordinates | 1513033.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Ag(I)-complex of 3-pyridin aldehyde |
|---|---|
| Formula | C12 H10 Ag N3 O5 |
| Calculated formula | C12 H10 Ag N3 O5 |
| SMILES | [Ag]([n]1cccc(c1)C=O)[n]1cccc(C=O)c1.O=N(=O)[O-] |
| Title of publication | Ag^I^ and Zn^II^ complexes with possible application as NLO materials ‒ Crystal structures and properties |
| Authors of publication | Ivanova, Bojidarka; Spiteller, Michael |
| Journal of publication | Polyhedron |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 2 |
| Pages of publication | 241 - 245 |
| a | 22.541 ± 0.015 Å |
| b | 7.805 ± 0.005 Å |
| c | 3.786 ± 0.002 Å |
| α | 90° |
| β | 92.533 ± 0.019° |
| γ | 90° |
| Cell volume | 665.4 ± 0.7 Å3 |
| Cell temperature | 198 ± 2 K |
| Ambient diffraction temperature | 198 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0772 |
| Residual factor for significantly intense reflections | 0.0629 |
| Weighted residual factors for significantly intense reflections | 0.1348 |
| Weighted residual factors for all reflections included in the refinement | 0.1417 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.869 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218750 (current) | 2019-09-23 | cif/1/51/30/ Updated bibliographic information in entries 1513033-1513034. |
1513033.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513033.cif |
| 91876 | 2013-12-18 | cif/1/51/30/ Fixing bibliographies for CIFs 1513033-1513041: moving author contacts from '_chemical_name_systematic' field to appropriate tags. Adding DOIs where missing. |
1513033.cif |
| 91874 | 2013-12-17 | cif/1/51/30/ Moving author contacts to appropriate tags. Adding DOI and number of the last page of publication. |
1513033.cif |
| 91361 | 2013-12-13 | cif/ Adding structures of 1513033 via cif-deposit CGI script. |
1513033.cif |
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