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Information card for entry 4338317
Preview
| Coordinates | 4338317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | tetrakis(imidazole)bis[imidazoleoxidodiperoxidovanadato(V)]cadmium |
|---|---|
| Formula | C18 H24 Cu N12 O10 V2 |
| Calculated formula | C18 H24 Cu N12 O10 V2 |
| SMILES | [O](=[V]12(OO2)([n]2c[nH]cc2)OO1)[Cu]([n]1c[nH]cc1)([n]1c[nH]cc1)(O=[V]12(OO1)(OO2)[n]1c[nH]cc1)([n]1c[nH]cc1)[n]1c[nH]cc1 |
| Title of publication | Peroxido Complexes of Vanadium(V) as Ligands. Crystal Structures of [Cd(NH3)6][{VO(O2)2(OH)}2{μ-Cd(NH3)4}] and [{VO(O2)2(Im)}2{μ-Cu(Im)4}] (Im = Imidazole). |
| Authors of publication | Bystrický, Roman; Antal, Peter; Tatiersky, Jozef; Schwendt, Peter; Gyepes, Róbert; Zák, Zdirad |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 10 |
| Pages of publication | 5037 - 5043 |
| a | 8.3596 ± 0.0003 Å |
| b | 8.9885 ± 0.0003 Å |
| c | 9.9801 ± 0.0003 Å |
| α | 87.287 ± 0.002° |
| β | 66.7094 ± 0.0016° |
| γ | 88.053 ± 0.002° |
| Cell volume | 687.93 ± 0.04 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 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 | 0.0377 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0728 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301839 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure. |
4338317.cif |
| 179486 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/83. |
4338317.cif |
| 115695 | 2014-06-05 | cif/ Updating files of 4338317, 4338318 Original log message: Adding full bibliography for 4338317--4338318.cif. |
4338317.cif |
| 112934 | 2014-05-07 | cif/ Adding structures of 4338317 via cif-deposit CGI script. |
4338317.cif |
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