Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8105480
Preview
| Coordinates | 8105480.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H54 Co3 N6 O20 |
|---|---|
| Calculated formula | C78 H54 Co3 N6 O20 |
| Title of publication | Crystal structure of poly[triaqua-bis(μ3-3,3′-((5-carboxylato-1,3-phenylene)bis(oxy))dibenzoato)-tris(1,10-phenanthroline)cobalt(II)], C78H46N6O20Co3 |
| Authors of publication | Li, Pei-xuan; Hui, Wei |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2020 |
| Journal volume | 235 |
| Journal issue | 6 |
| Pages of publication | 1409 - 1411 |
| a | 10.789 ± 0.004 Å |
| b | 48.885 ± 0.018 Å |
| c | 15.205 ± 0.004 Å |
| α | 90° |
| β | 124.604 ± 0.019° |
| γ | 90° |
| Cell volume | 6601 ± 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 | 0.0801 |
| Residual factor for significantly intense reflections | 0.0539 |
| Weighted residual factors for significantly intense reflections | 0.1123 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276186 (current) | 2022-06-23 | cif/ Adding structures of 8105480 via cif-deposit CGI script. |
8105480.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.