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Information card for entry 7036673
Preview
Coordinates | 7036673.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | 3b |
---|---|
Formula | C56 H71 Cu F5 N2 P2 Sb |
Calculated formula | C56 H71 Cu F5 N2 P2 Sb |
SMILES | [Cu]12(C#[N][Sb](F)(F)(F)(F)F)[P](=C(c3[n]2c(C(=[P]1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)c1ccccc1)ccc3)c1ccccc1)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C |
Title of publication | Reactions of [Cu(X)(BPEP-Ph)] (X = PF6, SbF6) with silyl compounds. Cooperative bond activation involving non-coordinating anions. |
Authors of publication | Nakajima, Yumiko; Tsuchimoto, Takahiro; Chang, Yung-Hung; Takeuchi, Katsuhiko; Ozawa, Fumiyuki |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 5 |
Pages of publication | 2079 - 2084 |
a | 16.0869 ± 0.0004 Å |
b | 18.668 ± 0.0005 Å |
c | 18.6526 ± 0.0005 Å |
α | 90° |
β | 95.9373 ± 0.0012° |
γ | 90° |
Cell volume | 5571.5 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 7 |
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 | 0.0778 |
Residual factor for significantly intense reflections | 0.0717 |
Weighted residual factors for significantly intense reflections | 0.1763 |
Weighted residual factors for all reflections included in the refinement | 0.1808 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
Diffraction radiation wavelength | 0.75 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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