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Information card for entry 1542280
Preview
Coordinates | 1542280.cif |
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Original paper (by DOI) | HTML |
Formula | C10 H16 N6 Na O6 V |
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Calculated formula | C10 H16 N6 Na O6 V |
SMILES | C12=[N]3C(CCC1)=NO[V]143([N]3=C(N=[O]4)CCCC3=NO1)[O]=N2.[Na+].O.O |
Title of publication | Structural and spectroscopic studies of a rare non-oxido V(v) complex crystallized from aqueous solution |
Authors of publication | Leggett, C. J.; Parker, B. F.; Teat, S. J.; Zhang, Z.; Dau, P. D.; Lukens, W. W.; Peterson, S. M.; Cardenas, A. J. P.; Warner, M. G.; Gibson, J. K.; Arnold, J.; Rao, L. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 4 |
Pages of publication | 2775 |
a | 7.9375 ± 0.0003 Å |
b | 8.7365 ± 0.0004 Å |
c | 12.1972 ± 0.0005 Å |
α | 102.684 ± 0.002° |
β | 107.187 ± 0.002° |
γ | 103.796 ± 0.002° |
Cell volume | 745.41 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0301 |
Residual factor for significantly intense reflections | 0.0263 |
Weighted residual factors for significantly intense reflections | 0.0707 |
Weighted residual factors for all reflections included in the refinement | 0.0729 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation wavelength | 0.7749 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1542280.html
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Users of the data should acknowledge the original authors of the
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