Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7710802
Preview
| Coordinates | 7710802.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H52 N Nb |
|---|---|
| Calculated formula | C50 H52 N Nb |
| Title of publication | A Niobium Pentafulvene Ethylene Complex: Synthesis, Properties and Reaction Pathways |
| Authors of publication | de Graaff, Simon; Schwitalla, Kevin; Haaker, Carolin Viola; Bengen, Nina; Schmidtmann, Marc; Beckhaus, Ruediger |
| Journal of publication | Dalton Transactions |
| Year of publication | 2022 |
| a | 17.016 ± 0.0006 Å |
| b | 11.6364 ± 0.0004 Å |
| c | 20.0189 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3963.8 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 36 |
| Hermann-Mauguin space group symbol | C m c 21 |
| Hall space group symbol | C 2c -2 |
| Residual factor for all reflections | 0.034 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.0799 |
| Weighted residual factors for all reflections included in the refinement | 0.0815 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 276949 (current) | 2022-07-27 | cif/ Adding structures of 7710800, 7710801, 7710802, 7710803, 7710804 via cif-deposit CGI script. |
7710802.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.