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Information card for entry 7206541
Preview
| Coordinates | 7206541.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | ((CH3CH2)4N)3(Ag6Br5.61(CN)3.39) |
|---|---|
| Chemical name | [(CH3CH2)4N]3[Ag6Br5.61(CN)3.39] |
| Formula | C27.39 H60 Ag6 Br5.61 N6.39 |
| Calculated formula | C27.3848 H60 Ag6 Br5.6152 N6.3848 |
| Title of publication | Two novel halogeno(cyano)argentates built by silver halide clusters: molecular structures and luminescent properties |
| Authors of publication | Lu, Ying-Bing; Cai, Li-Zhen; Zou, Jian-Ping; Liu, Xi; Guo, Guo-Cong; Huang, Jin-Shun |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 19 |
| Pages of publication | 5724 |
| a | 25.783 ± 0.002 Å |
| b | 11.8912 ± 0.0008 Å |
| c | 14.6506 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4491.7 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0598 |
| Residual factor for significantly intense reflections | 0.0477 |
| Weighted residual factors for significantly intense reflections | 0.1441 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198633 (current) | 2017-07-11 | cod/ (melanie@ameba.ibt.lt) Correcting the '_refine_ls_hydrogen_treatment' data item 'constr' enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5455. The following command was used : cif_fix_values --fix-misspelled src/cod-tools/trunk/data/replacement-values/replacement_values.lst $i | cif_filter --no-exclude-publication-details -h $i | sponge $i A total of 700 files were changed. |
7206541.cif |
| 180396 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/65. |
7206541.cif |
| 171772 | 2015-12-31 | cif/ (antanas@kurmis) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries. |
7206541.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 {}' |
7206541.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206541.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206541.cif |
| 28009 | 2011-10-13 | ../uploads/cif-deposit/cod/cif Adding structures of 7206541, 7206542 via cif-deposit CGI script. |
7206541.cif |
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Users of the data should acknowledge the original authors of the
structural data.