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Information card for entry 4311647
Preview
| Coordinates | 4311647.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Na8BaPb6 |
|---|---|
| Formula | Ba Na8 Pb6 |
| Calculated formula | Ba Na8 Pb6 |
| SMILES | [Ba].[Pb].[Pb].[Pb].[Na].[Na].[Pb].[Pb].[Na].[Na].[Pb].[Na].[Na].[Na].[Na] |
| Title of publication | Heavy-Metal Aromatic Rings: Cyclopentadienyl Anion Analogues Sn56- and Pb56- in the Zintl Phases Na8BaPb6, Na8BaSn6, and Na8EuSn6 |
| Authors of publication | Iliya Todorov; Slavi C. Sevov |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2004 |
| Journal volume | 43 |
| Pages of publication | 6490 - 6494 |
| a | 13.1174 ± 0.001 Å |
| b | 5.3587 ± 0.001 Å |
| c | 16.1769 ± 0.001 Å |
| α | 90° |
| β | 108.081 ± 0.01° |
| γ | 90° |
| Cell volume | 1081 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 11 |
| Hermann-Mauguin space group symbol | P 1 21/m 1 |
| Hall space group symbol | -P 2yb |
| Residual factor for all reflections | 0.0541 |
| Residual factor for significantly intense reflections | 0.0475 |
| Weighted residual factors for significantly intense reflections | 0.1293 |
| Weighted residual factors for all reflections included in the refinement | 0.1336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301837 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/31/ Each referenced PubChem compound corresponds to the full crystal structure. |
4311647.cif |
| 179155 | 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 4/31/16. |
4311647.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" |
4311647.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4311647.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4311647.cif |
| 3146 | 2010-11-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4311647 via cif-deposit CGI script. |
4311647.cif |
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Users of the data should acknowledge the original authors of the
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