Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4346677
Preview
| Coordinates | 4346677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C104 H98 Cl4 Mo4 N14 O14 |
|---|---|
| Calculated formula | C104 H98 Cl4 Mo4 N14 O14 |
| Title of publication | Electronic Coupling in [Mo2]-Bridge-[Mo2] Systems with Twisted Bridges. |
| Authors of publication | Zhang, Hong Li; Zhu, Guang Yuan; Wang, Gangyi; Meng, Miao; Liu, Chun Y.; Lei, Hao |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 23 |
| Pages of publication | 11314 - 11322 |
| a | 11.3767 ± 0.0004 Å |
| b | 13.8414 ± 0.0007 Å |
| c | 18.9787 ± 0.0007 Å |
| α | 104.774 ± 0.004° |
| β | 101.173 ± 0.003° |
| γ | 101.683 ± 0.004° |
| Cell volume | 2733.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0858 |
| Residual factor for significantly intense reflections | 0.0641 |
| Weighted residual factors for significantly intense reflections | 0.1711 |
| Weighted residual factors for all reflections included in the refinement | 0.1869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 231917 (current) | 2019-11-23 | cif/ Adding structures of 4346677, 4346678 via cif-deposit CGI script. |
4346677.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.