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Information card for entry 4082692
Preview
Coordinates | 4082692.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H60 N4 Ni |
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Calculated formula | C48 H60 N4 Ni |
SMILES | [Ni](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C |
Title of publication | One-Pot, Single-Step, and Gram-Scale Synthesis of Mononuclear [(η6-arene)Ni(N-heterocyclic carbene)] Complexes: Useful Precursors of the Ni0‒NHC Unit |
Authors of publication | Hoshimoto, Yoichi; Hayashi, Yukari; Suzuki, Haruka; Ohashi, Masato; Ogoshi, Sensuke |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 5 |
Pages of publication | 1276 |
a | 10.6704 ± 0.0008 Å |
b | 11.8689 ± 0.001 Å |
c | 18.1846 ± 0.0014 Å |
α | 78.762 ± 0.003° |
β | 89.783 ± 0.002° |
γ | 71.356 ± 0.003° |
Cell volume | 2136.1 ± 0.3 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for significantly intense reflections | 0.0987 |
Weighted residual factors for all reflections included in the refinement | 0.3095 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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