Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7118617
Preview
Coordinates | 7118617.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H45 B2 F15 N2 Ni O2 P2 |
---|---|
Calculated formula | C43 H45 B2 F15 N2 Ni O2 P2 |
SMILES | [Ni]12([P](C(C)(C)C)(C(C)(C)C)CN3B2N(c2c3cccc2)C[P]1(C(C)(C)C)C(C)(C)C)OC=[O][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F |
Title of publication | Selective reduction of carbon dioxide to bis(silyl)acetal catalyzed by a PBP-supported nickel complex. |
Authors of publication | Ríos, Pablo; Curado, Natalia; López-Serrano, Joaquín; Rodríguez, Amor |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2016 |
Journal volume | 52 |
Journal issue | 10 |
Pages of publication | 2114 - 2117 |
a | 23.4136 ± 0.0016 Å |
b | 11.6676 ± 0.0008 Å |
c | 35.146 ± 0.003 Å |
α | 90° |
β | 102.822 ± 0.004° |
γ | 90° |
Cell volume | 9361.8 ± 1.2 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 8 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0542 |
Residual factor for significantly intense reflections | 0.0372 |
Weighted residual factors for significantly intense reflections | 0.1237 |
Weighted residual factors for all reflections included in the refinement | 0.1405 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/7118617.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.