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Information card for entry 7234978
Preview
Coordinates | 7234978.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H32 Br2 N4 O10 V2 |
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Calculated formula | C24 H32 Br2 N4 O10 V2 |
Title of publication | Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight |
Authors of publication | Thakur, Snehasish; Drew, Michael G. B.; Franconetti, Antonio; Frontera, Antonio; Chattopadhyay, Shouvik |
Journal of publication | RSC Advances |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 60 |
Pages of publication | 35165 |
a | 10.0908 ± 0.0009 Å |
b | 13.733 ± 0.001 Å |
c | 21.1628 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2932.7 ± 0.4 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0466 |
Residual factor for significantly intense reflections | 0.0356 |
Weighted residual factors for significantly intense reflections | 0.0926 |
Weighted residual factors for all reflections included in the refinement | 0.0987 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7234978.html
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structural data.