Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7712947
Preview
| Coordinates | 7712947.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C132 H216 N40 O56 Zr6 |
|---|---|
| Calculated formula | C60 H48 N16 O32 Zr6 |
| Title of publication | A Metal–Organic Framework-Supported Dinuclear Iron Catalyst for Hydroboration of Carbonyl Compounds |
| Authors of publication | Zhu, Yi-Jie; Wang, Jun-Jie; Li, Jun-Yu; Zhang, Teng |
| Journal of publication | Dalton Transactions |
| Year of publication | 2023 |
| a | 31.786 ± 0.003 Å |
| b | 13.9537 ± 0.0015 Å |
| c | 24.406 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10824.8 ± 1.8 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150.03 K |
| Number of distinct elements | 5 |
| Space group number | 58 |
| Hermann-Mauguin space group symbol | P n n m |
| Hall space group symbol | -P 2 2n |
| Residual factor for all reflections | 0.1009 |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for significantly intense reflections | 0.1902 |
| Weighted residual factors for all reflections included in the refinement | 0.2117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 283003 (current) | 2023-05-05 | cif/ Adding structures of 7712947 via cif-deposit CGI script. |
7712947.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.