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Information card for entry 2228380
Preview
| Coordinates | 2228380.cif |
|---|---|
| Structure factors | 2228380.hkl |
| Original IUCr paper | HTML |
| Chemical name | (4-Chlorobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>)[2-(4- chlorobenzoylhydrazinylidene-κ^2^<i>N</i>^1^,<i>O</i>)- 3-phenylpropionato(2-)-κ<i>O</i>^1^]oxidovanadium(V) methanol monosolvate |
|---|---|
| Formula | C24 H21 Cl2 N4 O6 V |
| Calculated formula | C24 H21 Cl2 N4 O6 V |
| SMILES | [V]123(OC(=O)C(=[N]2N=C(O1)c1ccc(Cl)cc1)Cc1ccccc1)([O]=C(NN3)c1ccc(Cl)cc1)=O.OC |
| Title of publication | (4-Chlorobenzohydrazidato-κ^2^<i>N</i>',<i>O</i>)[2-(4-chlorobenzoylhydrazinylidene-κ^2^<i>N</i>^1^,<i>O</i>)-3-phenylpropionato(2{-})-κ<i>O</i>^1^]oxidovanadium(V) methanol monosolvate |
| Authors of publication | Wong, Hon Wee; Lo, Kong Mun; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1558 |
| a | 8.3217 ± 0.0004 Å |
| b | 11.2505 ± 0.0006 Å |
| c | 15.5064 ± 0.0008 Å |
| α | 109.405 ± 0.0007° |
| β | 98.889 ± 0.0007° |
| γ | 111.694 ± 0.0007° |
| Cell volume | 1206.93 ± 0.11 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 | 0.0435 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1161 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228380.cif 2228380.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228380.cif 2228380.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228380.cif 2228380.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. | 2228380.cif 2228380.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228380.cif 2228380.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228380.cif 2228380.hkl |
| 5781 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228372, 2228373, 2228374, 2228375, 2228376, 2228377, 2228378, 2228379, 2228380, 2228381 via cif-deposit CGI script. |
2228380.cif |
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Users of the data should acknowledge the original authors of the
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