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Information card for entry 4338318
Preview
| Coordinates | 4338318.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | hexaammminecadmium(2+) bis[ammineoxidodiperoxidovadatato(V)]tetraamminecadmiumate(2-) |
|---|---|
| Formula | Cd2 H32 N10 O12 V2 |
| Calculated formula | Cd2 H32 N10 O12 V2 |
| SMILES | [V]12(OO1)(OO2)(=O)[OH][Cd]([OH][V]12(OO1)(OO2)=O)([NH3])([NH3])([NH3])[NH3].[Cd]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3] |
| 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 | 7.4932 ± 0.0002 Å |
| b | 7.5385 ± 0.0002 Å |
| c | 10.6984 ± 0.0003 Å |
| α | 82.906 ± 0.003° |
| β | 87.456 ± 0.002° |
| γ | 61.54 ± 0.003° |
| Cell volume | 527.15 ± 0.03 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.018 |
| Residual factor for significantly intense reflections | 0.0175 |
| Weighted residual factors for significantly intense reflections | 0.0474 |
| Weighted residual factors for all reflections included in the refinement | 0.0476 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.114 |
| 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. |
4338318.cif |
| 176467 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4338318.cif |
| 115695 | 2014-06-05 | cif/ Updating files of 4338317, 4338318 Original log message: Adding full bibliography for 4338317--4338318.cif. |
4338318.cif |
| 112935 | 2014-05-07 | cif/ Adding structures of 4338318 via cif-deposit CGI script. |
4338318.cif |
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