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Information card for entry 4519334
Preview
Coordinates | 4519334.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C20 H45 B F4 N2 Ni O P2 |
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Calculated formula | C20 H45 B F4 N2 Ni O P2 |
Title of publication | Role of High-Spin Species and Pendant Amines in Electrocatalytic Alcohol Oxidation by a Nickel Phosphine Complex |
Authors of publication | Gunasekara, Thilina; Tong, Yicheng; Speelman, Amy L.; Erickson, Jeremy D.; Appel, Aaron M.; Hall, Michael B.; Wiedner, Eric S. |
Journal of publication | ACS Catalysis |
Year of publication | 2022 |
Pages of publication | 2729 - 2740 |
a | 9.7943 ± 0.0009 Å |
b | 10.8646 ± 0.0009 Å |
c | 13.9683 ± 0.0011 Å |
α | 100.077 ± 0.003° |
β | 105.481 ± 0.003° |
γ | 107.418 ± 0.003° |
Cell volume | 1313.2 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0234 |
Residual factor for significantly intense reflections | 0.0222 |
Weighted residual factors for significantly intense reflections | 0.0567 |
Weighted residual factors for all reflections included in the refinement | 0.0577 |
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 | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4519334.html
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structural data.