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Information card for entry 2227030
Preview
| Coordinates | 2227030.cif |
|---|---|
| Structure factors | 2227030.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (Acetylacetone 3-hydroxy-2-naphthoylhydrazonato-κ^3^<i>O</i>,<i>N</i>',<i>O</i>')(methoxo- κ<i>O</i>)oxidovanadate(V) |
|---|---|
| Formula | C17 H17 N2 O5 V |
| Calculated formula | C17 H17 N2 O5 V |
| SMILES | [V]12(OC(C)=CC(=[N]2N=C(O1)c1c(O)cc2ccccc2c1)C)(=O)OC |
| Title of publication | (Acetylacetone 3-hydroxy-2-naphthoylhydrazonato-κ^3^<i>O</i>,<i>N</i>',<i>O</i>')(methoxo-κ<i>O</i>)oxidovanadate(V) |
| 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 | 8 |
| Pages of publication | m1021 |
| a | 7.7379 ± 0.0008 Å |
| b | 9.7753 ± 0.001 Å |
| c | 11.4411 ± 0.0011 Å |
| α | 86.618 ± 0.001° |
| β | 70.821 ± 0.001° |
| γ | 85.974 ± 0.001° |
| Cell volume | 814.77 ± 0.14 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.052 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.0947 |
| Weighted residual factors for all reflections included in the refinement | 0.102 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| 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. |
2227030.cif 2227030.hkl |
| 181191 | 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 2/22/70. |
2227030.cif 2227030.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. |
2227030.cif 2227030.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227030.cif 2227030.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. | 2227030.cif 2227030.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227030.cif 2227030.hkl |
| 1704 | 2010-11-03 | hkl/2/ Adding Fobs files for the recently deposited IUCr data. |
2227030.cif 2227030.hkl |
| 1553 | 2010-10-08 | cif/2/ Adding data from Acta-Cryst-E-2010_08/. |
2227030.cif |
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Users of the data should acknowledge the original authors of the
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