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Information card for entry 2234229
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| Coordinates | 2234229.cif |
|---|---|
| Structure factors | 2234229.hkl |
| Original IUCr paper | HTML |
| Chemical name | {2-[(2-Aminocyclohexyl)iminomethyl]phenolato}dioxidovanadium(V) |
|---|---|
| Formula | C13 H17 N2 O3 V |
| Calculated formula | C13 H17 N2 O3 V |
| SMILES | [V]12([N](=Cc3c(O2)cccc3)[C@H]2[C@@H]([NH2]1)CCCC2)(=O)=O.[V]12([N](=Cc3c(O2)cccc3)[C@@H]2[C@H]([NH2]1)CCCC2)(=O)=O |
| Title of publication | {2-[(2-Aminocyclohexyl)iminomethyl]phenolato}dioxidovanadium(V) |
| Authors of publication | Sun, Xin-Zhi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m476 |
| a | 19.12 ± 0.009 Å |
| b | 19.12 ± 0.009 Å |
| c | 15.421 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5638 ± 4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 88 |
| Hermann-Mauguin space group symbol | I 41/a :2 |
| Hall space group symbol | -I 4ad |
| Residual factor for all reflections | 0.1798 |
| Residual factor for significantly intense reflections | 0.0992 |
| Weighted residual factors for significantly intense reflections | 0.1699 |
| Weighted residual factors for all reflections included in the refinement | 0.2025 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181264 (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 2/23/42. |
2234229.cif 2234229.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. |
2234229.cif 2234229.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234229.cif 2234229.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. | 2234229.cif 2234229.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234229.cif 2234229.hkl |
| 55495 | 2012-05-05 | cif/ Adding structures of 2234229 via cif-deposit CGI script. |
2234229.cif |
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Users of the data should acknowledge the original authors of the
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