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Information card for entry 2018695
Preview
| Coordinates | 2018695.cif |
|---|---|
| Structure factors | 2018695.hkl |
| Original IUCr paper | HTML |
| Formula | Cl8 Nb2 O2 Te8 |
|---|---|
| Calculated formula | Cl8 Nb2 O2 Te8 |
| SMILES | [Te]1([Te][Te][Te]([Te]1)[Te][Te][Te][Te]1[Te][Te][Te][Te]1)[Te][Te][Te].[Nb](Cl)(Cl)(Cl)(Cl)O[Nb](Cl)(Cl)(Cl)(Cl)O[Nb](Cl)(Cl)(Cl)(Cl)O[Nb](Cl)(Cl)(Cl)(Cl)[O] |
| Title of publication | [Te~8~][NbOCl~4~]~2~ containing an infinite chain-like {[Te‒Te‒Te‒(Te~5~)]^2+^}~<i>n~</i> polycation |
| Authors of publication | Feldmann, Claus; Freudenmann, Dominic |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 10 |
| Pages of publication | i68 - i70 |
| a | 7.867 ± 0.0016 Å |
| b | 12.049 ± 0.002 Å |
| c | 12.481 ± 0.003 Å |
| α | 80.85 ± 0.03° |
| β | 82.17 ± 0.03° |
| γ | 78.84 ± 0.03° |
| Cell volume | 1139.1 ± 0.4 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0854 |
| Residual factor for significantly intense reflections | 0.0472 |
| Weighted residual factors for significantly intense reflections | 0.1072 |
| Weighted residual factors for all reflections included in the refinement | 0.1149 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180855 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/86. |
2018695.cif 2018695.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018695.cif 2018695.hkl |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
2018695.cif 2018695.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018695.cif 2018695.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2018695.cif 2018695.hkl |
| 74188 | 2013-02-22 | hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013. |
2018695.cif 2018695.hkl |
| 70357 | 2012-12-21 | cif/ Adding structures of 2018695 via cif-deposit CGI script. |
2018695.cif |
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Users of the data should acknowledge the original authors of the
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