Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4124740
Preview
Coordinates | 4124740.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | NiGaL |
---|---|
Formula | C39 H60 Ga N4 Ni P3 |
Calculated formula | C39 H60 Ga N4 Ni P3 |
SMILES | [Ga]1234[Ni]56[P](CN3c3c([N]2(c2c(N1C[P]5(C(C)C)C(C)C)cccc2)c1c(N4C[P]6(C(C)C)C(C)C)cccc1)cccc3)(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 | 11.275 ± 0.002 Å |
b | 14.152 ± 0.003 Å |
c | 14.267 ± 0.003 Å |
α | 70.822 ± 0.002° |
β | 80.649 ± 0.002° |
γ | 82.759 ± 0.002° |
Cell volume | 2115.1 ± 0.7 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0778 |
Residual factor for significantly intense reflections | 0.0566 |
Weighted residual factors for significantly intense reflections | 0.1653 |
Weighted residual factors for all reflections included in the refinement | 0.1747 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4124740.cif |
170012 | 2015-11-05 | cif/ Adding structures of 4124740, 4124741, 4124742, 4124743 via cif-deposit CGI script. |
4124740.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.