Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2021550
Preview
| Coordinates | 2021550.cif |
|---|---|
| Structure factors | 2021550.hkl |
| Original IUCr paper | HTML |
| 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 | 12.4355 ± 0.0003 Å |
| b | 21.6501 ± 0.0004 Å |
| c | 11.9462 ± 0.0003 Å |
| α | 90° |
| β | 115.364 ± 0.004° |
| γ | 90° |
| Cell volume | 2906.24 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0707 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.1063 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214920 (current) | 2019-05-03 | cif/ Updating files of 2021550, 2021551 Original log message: Adding full bibliography for 2021550--2021551.cif. |
2021550.cif 2021550.hkl |
| 214250 | 2019-03-21 | cif/ hkl/ Adding structures of 2021550, 2021551 via cif-deposit CGI script. |
2021550.cif 2021550.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.