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Information card for entry 7240163
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Coordinates | 7240163.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Tris(2,4-pentanedionato-O,O')-vanadium(iii) |
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Formula | C15 H21 O6 V |
Calculated formula | C15 H21 O6 V |
Title of publication | Remarkable reversal of <sup>13</sup>C-NMR assignment in d<sup>1</sup>, d<sup>2</sup> compared to d<sup>8</sup>, d<sup>9</sup> acetylacetonate complexes: analysis and explanation based on solid-state MAS NMR and computations. |
Authors of publication | Andersen, Anders B. A.; Pyykkönen, Ari; Jensen, Hans Jørgen Aa; McKee, Vickie; Vaara, Juha; Nielsen, Ulla Gro |
Journal of publication | Physical chemistry chemical physics : PCCP |
Year of publication | 2020 |
Journal volume | 22 |
Journal issue | 15 |
Pages of publication | 8048 - 8059 |
a | 7.9785 ± 0.0003 Å |
b | 12.9974 ± 0.0005 Å |
c | 15.954 ± 0.0006 Å |
α | 90° |
β | 90.022 ± 0.004° |
γ | 90° |
Cell volume | 1654.43 ± 0.11 Å3 |
Cell temperature | 100 ± 0.1 K |
Ambient diffraction temperature | 100 ± 0.1 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0474 |
Residual factor for significantly intense reflections | 0.0465 |
Weighted residual factors for significantly intense reflections | 0.1274 |
Weighted residual factors for all reflections included in the refinement | 0.1291 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7240163.html
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