Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4062570
Preview
Coordinates | 4062570.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (dimethylsilyl)(dimethylchlorosilyl)niobocene hydrid |
---|---|
Chemical name | bis(cyclopentadienyl)(dimethylsilyl) (dimethylchlorosilyl)(hydrido) niobium (V) |
Formula | C14 H24 Cl Nb Si2 |
Calculated formula | C14 H24 Cl Nb Si2 |
Title of publication | Neutron and X-ray Diffraction Studies and DFT Calculations of Asymmetric Bis(silyl) Niobocene Hydrides |
Authors of publication | Dorogov, Konstantin Yu.; Dumont, Elise; Ho, Nam-Nhat; Churakov, Andrei V.; Kuzmina, Lyudmila G.; Poblet, Josep-Maria; Schultz, Arthur J.; Howard, Judith A. K.; Bau, Robert; Lledos, Agusti; Nikonov, Georgii I. |
Journal of publication | Organometallics |
Year of publication | 2004 |
Journal volume | 23 |
Journal issue | 12 |
Pages of publication | 2845 - 2847 |
a | 13.6876 ± 0.0004 Å |
b | 8.5767 ± 0.0003 Å |
c | 14.5354 ± 0.0004 Å |
α | 90° |
β | 93.627 ± 0.002° |
γ | 90° |
Cell volume | 1702.96 ± 0.09 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0266 |
Residual factor for significantly intense reflections | 0.0247 |
Weighted residual factors for significantly intense reflections | 0.0677 |
Weighted residual factors for all reflections included in the refinement | 0.0691 |
Goodness-of-fit parameter for all reflections | 1.43 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.155 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4062570.html
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.