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Information card for entry 4333801
Preview
| Coordinates | 4333801.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C8 H13 Ba2 Nb O23 |
|---|---|
| Calculated formula | C8 H13 Ba2 Nb O23 |
| Title of publication | Single-Step Preparation of the Mixed BaII-NbV Oxides from a Heteropolynuclear Oxalate Complex |
| Authors of publication | Marijana Jurić; Jasminka Popović; Ana Šantić; Krešimir Molčanov; Nevenka Brničević; Pavica Planinić |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 1832 - 1842 |
| a | 16.5679 ± 0.0006 Å |
| b | 11.6568 ± 0.0004 Å |
| c | 10.5831 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2043.9 ± 0.13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for significantly intense reflections | 0.0243 |
| Weighted residual factors for all reflections included in the refinement | 0.0564 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.972 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4333801.cif |
| 179441 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/38. |
4333801.cif |
| 99609 | 2014-02-03 | cif/ Adding structures of 4333801 via cif-deposit CGI script. |
4333801.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.