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Information card for entry 2105965
Preview
| Coordinates | 2105965.cif |
|---|---|
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | Catena-{Co(amp)3Cr(ox)3.6H2O} |
|---|---|
| Chemical name | Catena-{Co(amp)3Cr(ox)3.6H2O} |
| Formula | C24 H36 Co Cr N6 O18 |
| Calculated formula | C24 H36 Co Cr N6 O18 |
| SMILES | [Co]123([NH2]Cc4[n]1cccc4)([n]1c(cccc1)C[NH2]2)[NH2]Cc1[n]3cccc1.[Cr]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O3)OC(=O)C(=O)O2.O.O.O.O.O.O |
| Title of publication | Two-dimensionally stacked heterometallic layers hosting a discrete chair dodecameric ring of water clusters: synthesis and structural study |
| Authors of publication | Kenfack Tsobnang, Patrice; Wenger, Emmanuel; Biache, Coralie; Lambi Ngolui, John; Ponou, Siméon; Dahaoui, Slimane; Lecomte, Claude |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 5 |
| Pages of publication | 900 - 902 |
| a | 13.1923 ± 0.0008 Å |
| b | 18.0299 ± 0.001 Å |
| c | 14.1801 ± 0.0009 Å |
| α | 90° |
| β | 99.357 ± 0.002° |
| γ | 90° |
| Cell volume | 3327.9 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for significantly intense reflections | 0.0856 |
| Weighted residual factors for all reflections included in the refinement | 0.0935 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301802 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/10 Each referenced PubChem compound corresponds to the full crystal structure. |
2105965.cif |
| 176768 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10. |
2105965.cif |
| 124460 | 2014-10-02 | cif/ hkl/ Adding structures of 2105965 via cif-deposit CGI script. |
2105965.cif |
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Users of the data should acknowledge the original authors of the
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