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Information card for entry 4001640
Preview
| Coordinates | 4001640.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H24 Nb2 O16 Re2 |
|---|---|
| Calculated formula | C8 H24 Nb2 O16 Re2 |
| SMILES | CO[Nb]1(OC)(OC)(O[Re](=O)(=O)=O)[O]([Nb]([O]1C)(OC)(OC)(OC)O[Re](=O)(=O)=O)C |
| Title of publication | Alkoxide Route to Mixed Oxides of Rhenium, Niobium, and Tantalum. Preparation and X-ray Single-Crystal Study of a Novel Rhenium−Niobium Methoxo Complex, Nb2(OMe)8(ReO4)2 |
| Authors of publication | Shcheglov, Pavel A.; Drobot, Dmitry V.; Seisenbaeva, Gulaim A.; Gohil, Suresh; Kessler, Vadim G. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2002 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 2378 |
| a | 8.5609 ± 0.0016 Å |
| b | 12.89 ± 0.003 Å |
| c | 10.652 ± 0.003 Å |
| α | 90° |
| β | 97.31 ± 0.03° |
| γ | 90° |
| Cell volume | 1165.9 ± 0.5 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1419 |
| Residual factor for significantly intense reflections | 0.0679 |
| Weighted residual factors for significantly intense reflections | 0.1417 |
| Weighted residual factors for all reflections included in the refinement | 0.1604 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.902 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001640.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 {}' |
4001640.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4001640.cif |
| 53953 | 2012-04-20 | cif/ Adding structures of 4001640 via cif-deposit CGI script. |
4001640.cif |
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Users of the data should acknowledge the original authors of the
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