Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4124741
Preview
Coordinates | 4124741.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | NiInL |
---|---|
Formula | C39 H60 In N4 Ni P3 |
Calculated formula | C39 H60 In N4 Ni P3 |
SMILES | c12ccccc1N1C[P](C(C)C)([Ni]34[In]561[N]2(c1ccccc1N5C[P]3(C(C)C)C(C)C)c1ccccc1N6C[P]4(C(C)C)C(C)C)C(C)C |
Title of publication | Tuning Nickel with Lewis Acidic Group 13 Metalloligands for Catalytic Olefin Hydrogenation. |
Authors of publication | Cammarota, Ryan C.; Lu, Connie C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2015 |
Journal volume | 137 |
Journal issue | 39 |
Pages of publication | 12486 - 12489 |
a | 10.879 ± 0.002 Å |
b | 10.879 ± 0.002 Å |
c | 21.208 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 2173.7 ± 0.7 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 6 |
Space group number | 147 |
Hermann-Mauguin space group symbol | P -3 |
Hall space group symbol | -P 3 |
Residual factor for all reflections | 0.0774 |
Residual factor for significantly intense reflections | 0.0489 |
Weighted residual factors for significantly intense reflections | 0.1045 |
Weighted residual factors for all reflections included in the refinement | 0.1131 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
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/4124741.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.