Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105679
Preview
| Coordinates | 8105679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H28 Cu N2 O7 |
|---|---|
| Calculated formula | C33 H28 Cu N2 O7 |
| Title of publication | The crystal structure of bis(N,N-dimethylformamide-κO)-tetrakis(9H-xanthene-9-carboxylic-carboxylate-κ2 O:O′)dicopper(II) - acetonitrile (1/2), C66H56Cu2N4O14 |
| Authors of publication | Ren-Shu, Wang; Jing, Feng |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2019 |
| Journal volume | 234 |
| Journal issue | 3 |
| Pages of publication | 453 - 454 |
| a | 11.0791 ± 0.0005 Å |
| b | 11.5747 ± 0.0005 Å |
| c | 12.4037 ± 0.0006 Å |
| α | 77.782 ± 0.004° |
| β | 86.304 ± 0.004° |
| γ | 69.491 ± 0.004° |
| Cell volume | 1455.97 ± 0.12 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.083 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276755 (current) | 2022-07-11 | cif/ Adding structures of 8105679 via cif-deposit CGI script. |
8105679.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.