Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4000758
Preview
| Coordinates | 4000758.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | (2,2,6,6-tetramethylheptane-3,5-dionato)silver(i)-triethylphosphine |
|---|---|
| Formula | C34 H68 Ag2 O4 P2 |
| Calculated formula | C34 H68 Ag2 O4 P2 |
| SMILES | [Ag]1([P](CC)(CC)CC)[O]=C(C=C(O1)C(C)(C)C)C(C)(C)C |
| Title of publication | Plasma-Enhanced Atomic Layer Deposition of Silver Thin Films |
| Authors of publication | Kariniemi, Maarit; Niinistö, Jaakko; Hatanpää, Timo; Kemell, Marianna; Sajavaara, Timo; Ritala, Mikko; Leskelä, Markku |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2011 |
| Journal volume | 23 |
| Journal issue | 11 |
| Pages of publication | 2901 |
| a | 11.004 ± 0.002 Å |
| b | 13.139 ± 0.003 Å |
| c | 15.31 ± 0.003 Å |
| α | 81.67 ± 0.03° |
| β | 87.02 ± 0.03° |
| γ | 69.85 ± 0.03° |
| Cell volume | 2056.1 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0279 |
| Weighted residual factors for significantly intense reflections | 0.0555 |
| Weighted residual factors for all reflections included in the refinement | 0.0606 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000758.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4000758.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000758.cif |
| 34936 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4000758, 4000759 via cif-deposit CGI script. |
4000758.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.