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Information card for entry 4126510
Preview
Coordinates | 4126510.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [LGaNi(CO2H)][PPN] |
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Formula | C76 H91 Ga N5 Ni O2 P5 |
Calculated formula | C76 H91 Ga N5 Ni O2 P5 |
Title of publication | A bimetallic nickel-gallium complex catalyzes CO2 hydrogenation via the intermediacy of an anionic d(10) nickel hydride. |
Authors of publication | Cammarota, Ryan C.; Vollmer, Matthew V.; Xie, Jing; Ye, Jingyun; Linehan, John C.; Burgess, Samantha A.; Appel, Aaron M.; Gagliardi, Laura; Lu, Connie C. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
a | 11.2791 ± 0.0006 Å |
b | 15.7374 ± 0.001 Å |
c | 20.7033 ± 0.0013 Å |
α | 100.669 ± 0.002° |
β | 105.203 ± 0.002° |
γ | 92.85 ± 0.002° |
Cell volume | 3466.2 ± 0.4 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0859 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.134 |
Weighted residual factors for all reflections included in the refinement | 0.154 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4126510.html
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