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Information card for entry 7005548
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Coordinates | 7005548.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | (iPr2Im)2(CN)2Ni(ii) |
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Chemical name | (iPr2Im)2(CN)2Ni(II) |
Formula | C26 H38 N6 Ni |
Calculated formula | C26 H38 N6 Ni |
SMILES | C1(=[Ni](=C2N(C=CN2C(C)C)C(C)C)(C#N)C#N)N(C=CN1C(C)C)C(C)C.c1ccccc1 |
Title of publication | Efficient nickel mediated carbon-carbon bond cleavage of organonitriles. |
Authors of publication | Schaub, Thomas; Döring, Christian; Radius, Udo |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 20 |
Pages of publication | 1993 - 2002 |
a | 11.3397 ± 0.0006 Å |
b | 13.1546 ± 0.0006 Å |
c | 9.3845 ± 0.0007 Å |
α | 90° |
β | 98.118 ± 0.009° |
γ | 90° |
Cell volume | 1385.85 ± 0.14 Å3 |
Cell temperature | 203 ± 2 K |
Ambient diffraction temperature | 203 ± 2 K |
Number of distinct elements | 4 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0327 |
Residual factor for significantly intense reflections | 0.0319 |
Weighted residual factors for significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.0811 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.173 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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