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Information card for entry 4082105
Preview
Coordinates | 4082105.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C24 H29 N3 |
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Calculated formula | C24 H29 N3 |
SMILES | N#Cc1ccccc1/N=C(C)/C=C(\Nc1c(cccc1C(C)C)C(C)C)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 | 8.3248 ± 0.0007 Å |
b | 10.7512 ± 0.001 Å |
c | 13.0578 ± 0.0006 Å |
α | 70.948 ± 0.006° |
β | 83.238 ± 0.004° |
γ | 80.855 ± 0.005° |
Cell volume | 1087.91 ± 0.15 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 | 0.0613 |
Residual factor for significantly intense reflections | 0.0513 |
Weighted residual factors for significantly intense reflections | 0.129 |
Weighted residual factors for all reflections included in the refinement | 0.1385 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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