Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1566336
Preview
Coordinates | 1566336.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C50 H94 B2 N6 Ni2 P4 |
---|---|
Calculated formula | C50 H94 B2 N6 Ni2 P4 |
Title of publication | Ligand and solvent effects on CO2 insertion into group 10 metal alkyl bonds |
Authors of publication | Deziel, Anthony P.; Espinosa, Matthew R.; Pavlovic, Ljiljana; Charboneau, David J.; Hazari, Nilay; Hopmann, Kathrin H.; Mercado, Brandon Q. |
Journal of publication | Chemical Science |
Year of publication | 2022 |
Journal volume | 13 |
Journal issue | 8 |
Pages of publication | 2391 - 2404 |
a | 10.5516 ± 0.0006 Å |
b | 11.9228 ± 0.0009 Å |
c | 13.7755 ± 0.0012 Å |
α | 103.985 ± 0.007° |
β | 111.062 ± 0.007° |
γ | 90.654 ± 0.005° |
Cell volume | 1560 ± 0.2 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 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 | 0.1188 |
Residual factor for significantly intense reflections | 0.0794 |
Weighted residual factors for significantly intense reflections | 0.2006 |
Weighted residual factors for all reflections included in the refinement | 0.2239 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
273350 (current) | 2022-03-05 | cif/ Updating files of 1566334, 1566335, 1566336, 1566337, 1566338, 1566339 Original log message: Adding full bibliography for 1566334--1566339.cif. |
1566336.cif |
272892 | 2022-02-10 | cif/ Adding structures of 1566334, 1566335, 1566336, 1566337, 1566338, 1566339 via cif-deposit CGI script. |
1566336.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.