Information card for entry 7005545

Structure parameters

• Common name: (iPr2Im)2(CN)(2,4-Dimethoxyphenyl)Ni(ii)
• Chemical name: (iPr2Im)2(CN)(2,4-Dimethoxyphenyl)Ni(II)
• Formula: C27 H41 N5 Ni O2
• Calculated formula: C27 H41 N5 Ni O2
• SMILES: [Ni](=C1N(C=CN1C(C)C)C(C)C)(=C1N(C=CN1C(C)C)C(C)C)(C#N)c1c(cc(cc1)OC)OC
• 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: 15.0661 ± 0.0019 Å
• b: 9.8684 ± 0.0012 Å
• c: 38.201 ± 0.006 Å
• α: 90°
• β: 93.117 ± 0.018°
• γ: 90°
• Cell volume: 5671.3 ± 1.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 5
• 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: 0.1014
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No