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Information card for entry 4064415
Preview
Coordinates | 4064415.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H31 Br N4 Ni O |
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Calculated formula | C21 H31 Br N4 Ni O |
SMILES | Br[Ni](=C1N(C(=C(N1C)C)C)C)(=C1N(C(=C(N1C)C)C)C)c1ccc(OC)cc1 |
Title of publication | N-Heterocyclic Carbene Bound Nickel(I) Complexes and Their Roles in Catalysis. |
Authors of publication | Zhang, Kainan; Conda-Sheridan, Martin; Cooke, Shayna; Louie, Janis |
Journal of publication | Organometallics |
Year of publication | 2011 |
Journal volume | 30 |
Journal issue | 9 |
Pages of publication | 2546 - 2552 |
a | 9.0195 ± 0.0001 Å |
b | 27.5695 ± 0.0004 Å |
c | 9.478 ± 0.0001 Å |
α | 90° |
β | 112.043 ± 0.0009° |
γ | 90° |
Cell volume | 2184.55 ± 0.05 Å3 |
Cell temperature | 150 ± 1 K |
Ambient diffraction temperature | 150 ± 1 K |
Number of distinct elements | 6 |
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 | 0.0392 |
Residual factor for significantly intense reflections | 0.0296 |
Weighted residual factors for significantly intense reflections | 0.072 |
Weighted residual factors for all reflections included in the refinement | 0.0756 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
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/4064415.html
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