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Information card for entry 2227906
Preview
| Coordinates | 2227906.cif |
|---|---|
| Structure factors | 2227906.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Oxido{<i>N</i>-[(2-oxido-1-naphthyl-κ<i>O</i>)methylidene]asparaginato- κ^2^<i>O</i>^1^,<i>N</i>^2^}(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')vanadium(IV) <i>N</i>,<i>N</i>-dimethylformamide monosolvate |
|---|---|
| Formula | C30 H27 N5 O6 V |
| Calculated formula | C30 H27 N5 O6 V |
| Title of publication | Oxido{<i>N</i>-[(2-oxido-1-naphthyl-κ<i>O</i>)methylidene]asparaginato-κ^2^<i>O</i>^1^,<i>N</i>^2^}(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')vanadium(IV) <i>N</i>,<i>N</i>-dimethylformamide monosolvate |
| Authors of publication | Bian, Lin; Li, Lianzhi; Zhang, Qingfu; Wang, Daqi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m1051 |
| a | 10.357 ± 0.001 Å |
| b | 11.1021 ± 0.0012 Å |
| c | 12.9119 ± 0.0014 Å |
| α | 101.396 ± 0.002° |
| β | 104.196 ± 0.002° |
| γ | 91.01 ± 0.001° |
| Cell volume | 1407.5 ± 0.3 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 | 0.1109 |
| Residual factor for significantly intense reflections | 0.0745 |
| Weighted residual factors for significantly intense reflections | 0.1867 |
| Weighted residual factors for all reflections included in the refinement | 0.2162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2227906.cif 2227906.hkl |
| 181200 | 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 2/22/79. |
2227906.cif 2227906.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. |
2227906.cif 2227906.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2227906.cif 2227906.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. | 2227906.cif 2227906.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2227906.cif 2227906.hkl |
| 5269 | 2010-12-22 | hkl/ Adding Fobs data for the recent IUCr-published structres. |
2227906.cif 2227906.hkl |
| 4943 | 2010-12-18 | ../uploads/cif-deposit/cod/cif Adding structures of 2227906 via cif-deposit CGI script. |
2227906.cif |
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Users of the data should acknowledge the original authors of the
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