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Information card for entry 4102991
Preview
Coordinates | 4102991.cif |
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Original paper (by DOI) | HTML |
Formula | C18.67 H29.33 N5.33 Ni1.33 O4 |
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Calculated formula | C18.6667 H29.3333 N5.33333 Ni1.33333 O4 |
Title of publication | Facile C-H Bond Cleavage via a Proton-Coupled Electron Transfer Involving a C-H...CuII Interaction |
Authors of publication | Xavi Ribas; Carlos Calle; Albert Poater; Alicia Casitas; Laura Gómez; Raül Xifra; Teodor Parella; Jordi Benet-Buchholz; Arthur Schweiger; George Mitrikas; Miquel Solà; Antoni Llobet; T. Daniel P. Stack |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2010 |
Journal volume | 132 |
Pages of publication | 12299 - 12306 |
a | 8.2012 ± 0.0002 Å |
b | 10.4016 ± 0.0002 Å |
c | 17.8398 ± 0.0004 Å |
α | 90° |
β | 95.877 ± 0.001° |
γ | 90° |
Cell volume | 1513.84 ± 0.06 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.036 |
Residual factor for significantly intense reflections | 0.033 |
Weighted residual factors for significantly intense reflections | 0.0887 |
Weighted residual factors for all reflections included in the refinement | 0.0909 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4102991.html
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