Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4126149
Preview
| Coordinates | 4126149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [LCo3(C6H16N2)3]_3TFPB_2H2O_1.5MeOH |
|---|---|
| Formula | C217.5 H196 B3 Co3 F72 N12 O15.5 |
| Calculated formula | C217.5 H196 B3 Co3 F72 N12 O15.5 |
| Title of publication | A Metallo-molecular Cage That Can Close the Apertures with Coordination Bonds. |
| Authors of publication | Akine, Shigehisa; Miyashita, Masato; Nabeshima, Tatsuya |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2017 |
| Journal volume | 139 |
| Journal issue | 13 |
| Pages of publication | 4631 - 4634 |
| a | 19.2543 ± 0.0004 Å |
| b | 20.7309 ± 0.0004 Å |
| c | 29.5488 ± 0.0006 Å |
| α | 85.803 ± 0.001° |
| β | 82.661 ± 0.001° |
| γ | 74.247 ± 0.001° |
| Cell volume | 11249.5 ± 0.4 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1469 |
| Residual factor for significantly intense reflections | 0.0791 |
| Weighted residual factors for significantly intense reflections | 0.1801 |
| Weighted residual factors for all reflections included in the refinement | 0.2166 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 197283 (current) | 2017-06-04 | cif/ Adding structures of 4126149 via cif-deposit CGI script. |
4126149.cif |
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.