Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8107047
Preview
| Coordinates | 8107047.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 N2 O4 Zn |
|---|---|
| Calculated formula | C22 H19 N2 O4 Zn |
| Title of publication | Crystal structure of bis(μ3-isophthalato-κ 3 O:O′:O′′)(μ2-1,4-\ bis((2-propyl-1H-benzo[d]imidazol-1-yl)methyl)benzene-κ2 N:N′)dizinc(II), C22H19N2O4Zn |
| Authors of publication | Xu, Chunying; Liu, Lu; Su, Tong; Li, Shenshen |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2016 |
| Journal volume | 231 |
| Journal issue | 3 |
| Pages of publication | 913 - 915 |
| a | 8.7451 ± 0.0017 Å |
| b | 8.9609 ± 0.0018 Å |
| c | 12.81 ± 0.003 Å |
| α | 80.31 ± 0.03° |
| β | 82.66 ± 0.03° |
| γ | 69.9 ± 0.03° |
| Cell volume | 926.6 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0398 |
| Residual factor for significantly intense reflections | 0.0358 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.983 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282456 (current) | 2023-04-06 | cif/ Adding structures of 8107047 via cif-deposit CGI script. |
8107047.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.