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Information card for entry 7017920
Preview
| Coordinates | 7017920.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H33 F3 N Nb O5 |
|---|---|
| Calculated formula | C20 H33 F3 N Nb O5 |
| SMILES | [Nb]1(OC(C)C)(OC(C)C)(OC(C)C)(OC(=Cc2[n]1cccc2)C(F)(F)F)OC(C)C |
| Title of publication | New iso-propoxides, tert-butoxides and neo-pentoxides of niobium(v): Synthesis, structure, characterization and stabilization by trifluoroheteroarylalkenolates and pyridine ligands. |
| Authors of publication | Appel, Linus; Fiz, Raquel; Tyrra, Wieland; Mathur, Sanjay |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2012 |
| Journal volume | 41 |
| Journal issue | 7 |
| Pages of publication | 1981 - 1990 |
| a | 8.2345 ± 0.001 Å |
| b | 18.8002 ± 0.0018 Å |
| c | 17.923 ± 0.002 Å |
| α | 90° |
| β | 116.248 ± 0.009° |
| γ | 90° |
| Cell volume | 2488.6 ± 0.5 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0871 |
| Residual factor for significantly intense reflections | 0.0561 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.864 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301847 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/01/ Each referenced PubChem compound corresponds to the full crystal structure. |
7017920.cif |
| 179883 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/79. |
7017920.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7017920.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7017920.cif |
| 33461 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7017919, 7017920, 7017921 via cif-deposit CGI script. |
7017920.cif |
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