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Information card for entry 4313822
Preview
| Coordinates | 4313822.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | nickel bismuth sulphidoiodide |
|---|---|
| Chemical name | nickel bismuth sulphidoiodide |
| Formula | Bi8 I2 Ni8 S |
| Calculated formula | Bi8 I2 Ni8 S |
| Title of publication | Quasi-1D Cations 1\ιnfty[Ni8Bi8S]n+ of Variable Charge: Infinite Columns 1\ιnfty[Ni8Bi8S]2+ in the Novel Compound Ni8Bi8SI2 |
| Authors of publication | Alexey I. Baranov; Lars A. Kloo; Andrei V. Olenev; Boris A. Popovkin; Anatoli I. Romanenko |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 3988 - 3993 |
| a | 9.925 ± 0.002 Å |
| b | 21.575 ± 0.004 Å |
| c | 4.158 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 890.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 58 |
| Hermann-Mauguin space group symbol | P n n m |
| Hall space group symbol | -P 2 2n |
| Residual factor for all reflections | 0.0817 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.121 |
| Weighted residual factors for all reflections included in the refinement | 0.1375 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.5609 Å |
| Diffraction radiation type | AgKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179204 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/38. |
4313822.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 {}' |
4313822.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313822.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313822.cif |
| 11788 | 2011-02-22 | cif/4/ Redepositing CIFs that were formally processed with an old version of cif_fix_values script. |
4313822.cif |
| 6892 | 2011-01-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4313822 via cif-deposit CGI script. |
4313822.cif |
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