Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107058
Preview
| Coordinates | 8107058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H54 Cd2 N8 O11 |
|---|---|
| Calculated formula | C64 H54 Cd2 N8 O11 |
| Title of publication | Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2 N:N′)-bis(μ3-5-hydroxyisophthalate(2–)-κ3 O,O′:O′′)dicadmium(II)] monohydrate, C64H54N8O11Cd2 |
| Authors of publication | Xu, Chunying; Liu, Lu; Lou, Xinhua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 947 - 949 |
| a | 10.314 ± 0.002 Å |
| b | 18.29 ± 0.004 Å |
| c | 16.516 ± 0.006 Å |
| α | 90° |
| β | 113.91 ± 0.02° |
| γ | 90° |
| Cell volume | 2848.3 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0526 |
| Residual factor for significantly intense reflections | 0.044 |
| Weighted residual factors for significantly intense reflections | 0.084 |
| Weighted residual factors for all reflections included in the refinement | 0.089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282502 (current) | 2023-04-07 | cif/ Adding structures of 8107058 via cif-deposit CGI script. |
8107058.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.