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Information card for entry 2232434
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| Coordinates | 2232434.cif |
|---|---|
| Structure factors | 2232434.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Methanolato-κ<i>O</i>)[<i>N</i>'-(3-methoxy-2-oxidobenzylidene-\ κ<i>O</i>^2^)-4-nitrobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>]oxidovanadium(V) |
|---|---|
| Formula | C16 H14 N3 O7 V |
| Calculated formula | C16 H14 N3 O7 V |
| SMILES | [V]12([N](N=C(O2)c2ccc(N(=O)=O)cc2)=Cc2c(O1)c(OC)ccc2)(=O)OC |
| Title of publication | (Methanolato-κ<i>O</i>)[<i>N</i>'-(3-methoxy-2-oxidobenzylidene-κ<i>O</i>^2^)-4-nitrobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>]oxidovanadium(V) |
| Authors of publication | Wang, Chen-Yi; Tu, Hai-Yu; Zhu, Pei-Fei; Sheng, Su-Jun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1495 |
| a | 6.41 ± 0.003 Å |
| b | 10.253 ± 0.003 Å |
| c | 13.49 ± 0.003 Å |
| α | 71.111 ± 0.002° |
| β | 87.998 ± 0.002° |
| γ | 86.473 ± 0.002° |
| Cell volume | 837.1 ± 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 | 0.0719 |
| Residual factor for significantly intense reflections | 0.051 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1152 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.152 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181246 (current) | 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 2/23/24. |
2232434.cif 2232434.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. |
2232434.cif 2232434.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232434.cif 2232434.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232434.cif 2232434.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232434.cif 2232434.hkl |
| 31092 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232434 via cif-deposit CGI script. |
2232434.cif |
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Users of the data should acknowledge the original authors of the
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