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Information card for entry 4082103
Preview
Coordinates | 4082103.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C19 H16 N4 |
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Calculated formula | C19 H16 N4 |
SMILES | N#Cc1ccccc1/N=C(C)/C=C(\Nc1ccc(cc1)C#N)C |
Title of publication | N-Arylcyano-β-diketiminate Methallyl Nickel Complexes: Synthesis, Adduct Formation, and Reactivity toward Ethylene |
Authors of publication | Trofymchuk, Oleksandra S.; Gutsulyak, Dmitry V.; Quintero, Celso; Parvez, Masood; Daniliuc, Constantin G.; Piers, Warren E.; Rojas, Rene S. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 24 |
Pages of publication | 7323 |
a | 7.9266 ± 0.0003 Å |
b | 8.7 ± 0.0005 Å |
c | 12.0195 ± 0.001 Å |
α | 101.781 ± 0.004° |
β | 92.922 ± 0.005° |
γ | 96.554 ± 0.004° |
Cell volume | 803.76 ± 0.09 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 3 |
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 | 0.0422 |
Weighted residual factors for significantly intense reflections | 0.1057 |
Weighted residual factors for all reflections included in the refinement | 0.1102 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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