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Information card for entry 1554615
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Coordinates | 1554615.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ni(TAPPy)2 |
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Formula | C24 H20 N10 Ni |
Calculated formula | C24 H20 N10 Ni |
SMILES | [Ni]12(NC(=NC(=[NH]1)c1ccccn1)c1ccccn1)NC(=NC(=[NH]2)c1ccccn1)c1ccccn1 |
Title of publication | Ligand-centered electrochemical processes enable CO2 reduction with a nickel bis(triazapentadienyl) complex |
Authors of publication | Dubrawski, Zachary; Heidebrecht, Joshua; Puerta Lombardi, Braulio M.; Hyla, Alexander S.; Willkomm, Janina; Radford, Chase L.; Lin, Jian-Bin; Welch, Gregory C.; Ponnurangam, Sathish; Roesler, Roland; Prokopchuk, Demyan E.; Piers, Warren E. |
Journal of publication | Sustainable Energy & Fuels |
Year of publication | 2019 |
Journal volume | 3 |
Journal issue | 5 |
Pages of publication | 1172 |
a | 7.7492 ± 0.0013 Å |
b | 16.392 ± 0.002 Å |
c | 8.8505 ± 0.0014 Å |
α | 90° |
β | 101.096 ± 0.006° |
γ | 90° |
Cell volume | 1103.2 ± 0.3 Å3 |
Cell temperature | 173 K |
Ambient diffraction temperature | 173 K |
Number of distinct elements | 4 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0734 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.0746 |
Weighted residual factors for all reflections included in the refinement | 0.0878 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1554615.html
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Users of the data should acknowledge the original authors of the
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