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Information card for entry 4101591
Preview
| Coordinates | 4101591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Na6 Sn2 Zn |
|---|---|
| Calculated formula | Na6 Sn2 Zn |
| SMILES | [Sn][Zn][Sn].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| Title of publication | Na6ZnSn2, Na4.24K1.76(1)ZnSn2, and Na20Zn8Sn11: Three Intermetallic Structures Containing the Linear {Sn-Zn-Sn}(6-) Unit |
| Authors of publication | Kim, Sung-Jin; Kraus, Florian; Faessler, Thomas F. |
| Journal of publication | JOURNAL OF THE AMERICAN CHEMICAL SOCIETY |
| Year of publication | 2009 |
| Journal volume | 131 |
| Journal issue | 4 |
| Pages of publication | 1469 - 1478 |
| a | 10.077 ± 0.003 Å |
| b | 5.4733 ± 0.0014 Å |
| c | 9.316 ± 0.002 Å |
| α | 90° |
| β | 98.07 ± 0.02° |
| γ | 90° |
| Cell volume | 508.7 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 12 |
| Hermann-Mauguin space group symbol | C 1 2/m 1 |
| Hall space group symbol | -C 2y |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.0221 |
| Weighted residual factors for significantly intense reflections | 0.0437 |
| Weighted residual factors for all reflections included in the refinement | 0.0448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178761 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/15. |
4101591.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
4101591.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4101591.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4101591.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4101591.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4101591.cif |
| 916 | 2009-12-07 | cif/4/ Adding data from JACS-2009_4/. |
4101591.cif |
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Users of the data should acknowledge the original authors of the
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