Information card for entry 7005548

Structure parameters

• Common name: (iPr2Im)2(CN)2Ni(ii)
• 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 ų
• 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