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Information card for entry 4320918
Preview
| Coordinates | 4320918.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H20 Cd N4 Se3 |
|---|---|
| Calculated formula | C15 Cd N4 Se3 |
| Title of publication | Wide Spectral Range Nonlinear Optical Crystals of One-Dimensional Coordination Solids [Et4N][Cd(SCN)3] and [Et4N][Cd(SeCN)3] and the General Design Criteria for [R4N][Cd(XCN)3] (Where R = Alkyl and X = S, Se, Te) as NLO Crystals |
| Authors of publication | Hong Zhang; David E. Zelmon; Gary E. Price; Boon K. Teo |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 1868 - 1873 |
| a | 9.9389 Å |
| b | 16.8687 Å |
| c | 11.0549 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1853.42 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 25 K |
| Number of distinct elements | 5 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for significantly intense reflections | 0.048 |
| Weighted residual factors for significantly intense reflections | 0.063 |
| Goodness-of-fit parameter for significantly intense reflections | 3.24 |
| Diffraction radiation wavelength | 0.7109 Å |
| Diffraction radiation type | MoKalpha |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4320918.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 {}' |
4320918.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320918.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320918.cif |
| 18240 | 2011-04-28 | ../uploads/cif-deposit/cod/cif Adding structures of 4320918 via cif-deposit CGI script. |
4320918.cif |
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