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Information card for entry 2231391
Preview
| Coordinates | 2231391.cif |
|---|---|
| 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) |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181887 (current) | 2016-04-06 | hkl/2/23/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/23/13. |
2231391.cif 2231391.hkl |
| 181235 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/13. |
2231391.cif 2231391.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2231391.cif 2231391.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231391.cif 2231391.hkl |
| 27501 | 2011-10-05 | ../uploads/cif-deposit/cod/cif ../uploads/cif-deposit/cod/hkl Adding structures of 2231391 via cif-deposit CGI script. |
2231391.cif 2231391.hkl |
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