Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7221135
Preview
| Coordinates | 7221135.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H57 Br6 Cd3 N8 O1.5 |
|---|---|
| Calculated formula | C36 H54 Br6 Cd3 N8 O1.5 |
| Title of publication | Synthesis and structures of dinuclear cryptates with Zn(ii), Cd(ii) and Hg(ii): tuning the cascade binding mode with metal ions |
| Authors of publication | Yan, Feng; Zhuang, Xiao-Mei; Lu, Tong-Bu |
| Journal of publication | CrystEngComm |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 30 |
| Pages of publication | 5832 |
| a | 9.671 ± 0.0001 Å |
| b | 33.8375 ± 0.0004 Å |
| c | 14.2619 ± 0.0002 Å |
| α | 90° |
| β | 93.22 ± 0.001° |
| γ | 90° |
| Cell volume | 4659.73 ± 0.1 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0467 |
| Residual factor for significantly intense reflections | 0.0413 |
| Weighted residual factors for significantly intense reflections | 0.0976 |
| Weighted residual factors for all reflections included in the refinement | 0.1003 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
7221135.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7221135.cif |
| 153104 | 2015-08-08 | cif/ Updating files of 7221133, 7221134, 7221135, 7221136, 7221137, 7221138, 7221139, 7221140 Original log message: Adding full bibliography for 7221133--7221140.cif. |
7221135.cif |
| 141462 | 2015-07-09 | cif/ Adding structures of 7221133, 7221134, 7221135, 7221136, 7221137, 7221138, 7221139, 7221140 via cif-deposit CGI script. |
7221135.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.