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Information card for entry 2021551
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| Coordinates | 2021551.cif |
|---|---|
| Structure factors | 2021551.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Common name | [μ-Bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]bis{[bis(3-methoxy-2-oxidobenzylidene)ethylenediamine]cobalt(III)} acetonitrile tetrasolvate |
|---|---|
| Chemical name | {μ-6,6'-Dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato}bis({6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylylidene)]diphenolato}cobalt(III)) acetonitrile tetrasolvate |
| Formula | C62 H66 Co2 N10 O12 |
| Calculated formula | C62 H66 Co2 N10 O12 |
| Title of publication | Polymorphism of the dinuclear Co^III^–Schiff base complex [Co~2~(<i>o</i>-van-en)~3~]·4CH~3~CN (<i>o</i>-van-en is a salen-type ligand) |
| Authors of publication | Vráblová, Anna; Černák, Juraj; Falvello, Larry R.; Tomás, Milagros |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 433 - 442 |
| a | 10.4971 ± 0.0005 Å |
| b | 11.6195 ± 0.0005 Å |
| c | 13.7158 ± 0.0006 Å |
| α | 70.471 ± 0.004° |
| β | 71.667 ± 0.004° |
| γ | 72.466 ± 0.004° |
| Cell volume | 1460.26 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0466 |
| Residual factor for significantly intense reflections | 0.0373 |
| Weighted residual factors for significantly intense reflections | 0.089 |
| Weighted residual factors for all reflections included in the refinement | 0.0941 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2021551.cif 2021551.hkl |
| 214920 | 2019-05-03 | cif/ Updating files of 2021550, 2021551 Original log message: Adding full bibliography for 2021550--2021551.cif. |
2021551.cif 2021551.hkl |
| 214250 | 2019-03-21 | cif/ hkl/ Adding structures of 2021550, 2021551 via cif-deposit CGI script. |
2021551.cif 2021551.hkl |
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