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Information card for entry 2229612
Preview
| Coordinates | 2229612.cif |
|---|---|
| Structure factors | 2229612.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | [<i>N</i>'-(3,5-Diiodo-2-oxidobenzylidene-κ<i>O</i>)-4-methylbenzohydrazidato- κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)(methanolato- κ<i>O</i>)oxidovanadium(V) |
|---|---|
| Formula | C17 H17 I2 N2 O5 V |
| Calculated formula | C17 H17 I2 N2 O5 V |
| SMILES | [V]12([N](N=C(O1)c1ccc(cc1)C)=Cc1cc(I)cc(I)c1O2)(=O)([OH]C)OC |
| Title of publication | [<i>N</i>'-(3,5-Diiodo-2-oxidobenzylidene-κ<i>O</i>)-4-methylbenzohydrazidato-κ^2^<i>N</i>',<i>O</i>](methanol-κ<i>O</i>)(methanolato-κ<i>O</i>)oxidovanadium(V) |
| Authors of publication | Liu, Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 4 |
| Pages of publication | m482 |
| a | 7.89 ± 0.005 Å |
| b | 10.03 ± 0.006 Å |
| c | 13.628 ± 0.008 Å |
| α | 81.857 ± 0.005° |
| β | 84.777 ± 0.006° |
| γ | 85.286 ± 0.005° |
| Cell volume | 1060.5 ± 1.1 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0611 |
| Residual factor for significantly intense reflections | 0.0407 |
| Weighted residual factors for significantly intense reflections | 0.0809 |
| Weighted residual factors for all reflections included in the refinement | 0.0899 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2229612.cif 2229612.hkl |
| 181217 | 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 2/22/96. |
2229612.cif 2229612.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. |
2229612.cif 2229612.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229612.cif 2229612.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. | 2229612.cif 2229612.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229612.cif 2229612.hkl |
| 19531 | 2011-05-17 | hkl/2/ Adding Fobs data for the latest IUCr deposition. |
2229612.cif 2229612.hkl |
| 19068 | 2011-05-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2229612 via cif-deposit CGI script. |
2229612.cif |
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Users of the data should acknowledge the original authors of the
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