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Information card for entry 2231391
Preview
Coordinates | 2231391.cif |
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Structure factors | 2231391.hkl |
Original IUCr paper | HTML |
Chemical name | (Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido{<i>N</i>'-[1-(2- oxidonaphthalen-1-yl-κ<i>O</i>)ethylidene]nicotinohydrazidato- κ^2^<i>N</i>',<i>O</i>}vanadium(V) |
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Formula | C20 H20 N3 O5 V |
Calculated formula | C20 H20 N3 O5 V |
SMILES | [V]12([N](N=C(O2)c2cccnc2)=C(c2c(O1)ccc1ccccc21)C)(=O)([OH]C)OC |
Title of publication | (Methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxido{<i>N</i>'-[1-(2-oxidonaphthalen-1-yl-κ<i>O</i>)ethylidene]nicotinohydrazidato-κ^2^<i>N</i>',<i>O</i>}vanadium(V) |
Authors of publication | Chen-Yi Wang; Juan-Juan Hu; Hai-Yu Tu; Pei-Fei Zhu; Su-Jun Sheng |
Journal of publication | Acta Crystallographica, Section E |
Year of publication | 2011 |
Journal volume | 67 |
Journal issue | 11 |
Pages of publication | m1475 - m1476 |
a | 8.056 ± 0.002 Å |
b | 8.931 ± 0.003 Å |
c | 14.204 ± 0.003 Å |
α | 92.312 ± 0.001° |
β | 95.418 ± 0.002° |
γ | 105.481 ± 0.002° |
Cell volume | 978.2 ± 0.5 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0502 |
Residual factor for significantly intense reflections | 0.0392 |
Weighted residual factors for significantly intense reflections | 0.0949 |
Weighted residual factors for all reflections included in the refinement | 0.1011 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2231391.html
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Users of the data should acknowledge the original authors of the
structural data.