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Information card for entry 4513985
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Coordinates | 4513985.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Zhiyao100315 |
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Formula | C16 H24 I2 N8 Ni |
Calculated formula | C16 H24 I2 N8 Ni |
SMILES | C1(N(C=CN1)C)=[Ni](=C1N(C=CN1)C)(=C1N(C=CN1)C)=C1N(C=CN1)C.[I-].[I-] |
Title of publication | Di(carbene)-Supported Nickel Systems for CO2Reduction Under Ambient Conditions |
Authors of publication | Lu, Zhiyao; Williams, Travis J. |
Journal of publication | ACS Catalysis |
Year of publication | 2016 |
Journal volume | 6 |
Journal issue | 10 |
Pages of publication | 6670 |
a | 8.3462 ± 0.0002 Å |
b | 8.4556 ± 0.0002 Å |
c | 8.796 ± 0.0002 Å |
α | 113.763 ± 0.002° |
β | 101.75 ± 0.002° |
γ | 91.594 ± 0.002° |
Cell volume | 552.02 ± 0.02 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0468 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.1156 |
Weighted residual factors for all reflections included in the refinement | 0.1189 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.154 |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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