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Information card for entry 4503554
Preview
| Coordinates | 4503554.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | I6 In K3 O18 |
|---|---|
| Calculated formula | I6 In K3 O18 |
| SMILES | [K+].[K+].O=[I](O[In](O[I](=O)=O)(O[I](=O)=O)(O[I](=O)=O)(O[I](=O)=O)O[I](=O)=O)=O.[K+] |
| Title of publication | Hydrothermal Synthesis and Crystal Structure of Polar and Nonpolar Compounds in Indium Iodate Family |
| Authors of publication | Liu, Xiaomin; Li, Guanghua; Hu, Yawei; Yang, Ming; Kong, Xianggui; Shi, Zhan; Feng, Shouhua |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2008 |
| Journal volume | 8 |
| Journal issue | 7 |
| Pages of publication | 2453 |
| a | 39.596 ± 0.007 Å |
| b | 8.2984 ± 0.0014 Å |
| c | 11.258 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3699.2 ± 1.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 43 |
| Hermann-Mauguin space group symbol | F d d 2 |
| Hall space group symbol | F 2 -2d |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0518 |
| Weighted residual factors for all reflections included in the refinement | 0.0523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4503554.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 {}' |
4503554.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4503554.cif |
| 41626 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4503554, 4503555, 4503556, 4503557 via cif-deposit CGI script. |
4503554.cif |
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Users of the data should acknowledge the original authors of the
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