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Information card for entry 4320349
Preview
| Coordinates | 4320349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | CaNa10Sn12 |
|---|---|
| Formula | Ca Na10 Sn12 |
| Calculated formula | Ca Na10 Sn12 |
| SMILES | [Ca+2].[Sn]12[Sn]3[Sn]4[Sn]5[Sn]6[Sn]7[Sn]([Sn]1[Sn]2[Sn]56)[Sn]7[Sn]34.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
| Title of publication | Synthesis and Characterization of the Largest Isolated Clusters of Tin, [Sn12]12-, in (AE)Na10Sn12 (AE = Ca or Sr) |
| Authors of publication | Svilen Bobev; Slavi C. Sevov |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 5361 - 5364 |
| a | 11.1847 ± 0.0006 Å |
| b | 11.1847 ± 0.0006 Å |
| c | 11.1847 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1399.18 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 217 |
| Hermann-Mauguin space group symbol | I -4 3 m |
| Hall space group symbol | I -4 2 3 |
| Residual factor for all reflections | 0.0136 |
| Residual factor for significantly intense reflections | 0.0131 |
| Weighted residual factors for significantly intense reflections | 0.0293 |
| Weighted residual factors for all reflections included in the refinement | 0.0295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.247 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4320349.cif |
| 179306 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03. |
4320349.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 {}' |
4320349.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4320349.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4320349.cif |
| 17253 | 2011-04-06 | ../uploads/cif-deposit/cod/cif Adding structures of 4320349 via cif-deposit CGI script. |
4320349.cif |
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