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Information card for entry 7211774
Preview
| Coordinates | 7211774.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C40 H42 As Cr N2 O13 |
|---|---|
| Calculated formula | C40 H42 As Cr N2 O13 |
| SMILES | [Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)[n]1ccc(cc1c1[n]3ccc(c1)C)C.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O.O.O.O |
| Title of publication | [Cr(dmbipy)(ox)2]−: a new bis-oxalato building block for metal assembling. Crystal structures and magnetic properties of XPh4[Cr(dmbipy)(ox)2]·5H2O (X = P and As), {Ba(H2O)2[Cr(dmbipy)(ox)2]2}n·17/2nH2O and {Ag(H2O)[Cr(dmbipy)(ox)2]}n·3nH2O |
| Authors of publication | Viciano-Chumillas, Marta; Marino, Nadia; Sorribes, Iván; Vicent, Cristian; Lloret, Francesc; Julve, Miguel |
| Journal of publication | CrystEngComm |
| Year of publication | 2010 |
| Journal volume | 12 |
| Journal issue | 1 |
| Pages of publication | 122 |
| a | 9.7453 ± 0.0008 Å |
| b | 10.9615 ± 0.0009 Å |
| c | 20.0602 ± 0.0017 Å |
| α | 93.031 ± 0.002° |
| β | 99.433 ± 0.002° |
| γ | 108.355 ± 0.002° |
| Cell volume | 1993.8 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 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 | 0.0298 |
| Residual factor for significantly intense reflections | 0.0263 |
| Weighted residual factors for significantly intense reflections | 0.0711 |
| Weighted residual factors for all reflections included in the refinement | 0.0735 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301864 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/21/ Each referenced PubChem compound corresponds to the full crystal structure. |
7211774.cif |
| 180448 | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/17. |
7211774.cif |
| 92359 | 2014-01-12 | cif/ Adding structures of 7211773, 7211774, 7211775, 7211776 via cif-deposit CGI script. |
7211774.cif |
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