Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7032696
Preview
Coordinates | 7032696.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C27 H51 N6 Nb S2 |
---|---|
Calculated formula | C27 H51 N6 Nb S2 |
SMILES | [Nb]12(SC(=[S]1)N(C)C)(=Nc1c(cccc1C(C)C)C(C)C)([N](=C(N2C(C)C)NC(C)C)C(C)C)N(C)C |
Title of publication | Mixed amido-/imido-/guanidinato niobium complexes: synthesis and the effect of ligands on insertion reactions. |
Authors of publication | Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; López-Solera, Isabel; Fernández-Galán, Rafael; Villaseñor, Elena |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 46 |
Pages of publication | 17434 - 17444 |
a | 11.1088 ± 0.0004 Å |
b | 16.4664 ± 0.0006 Å |
c | 18.0246 ± 0.0007 Å |
α | 90° |
β | 91.968 ± 0.002° |
γ | 90° |
Cell volume | 3295.2 ± 0.2 Å3 |
Cell temperature | 260 ± 2 K |
Ambient diffraction temperature | 260 ± 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 | 0.1862 |
Residual factor for significantly intense reflections | 0.069 |
Weighted residual factors for significantly intense reflections | 0.158 |
Weighted residual factors for all reflections included in the refinement | 0.2198 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.937 |
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/7032696.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.