Information card for entry 7004815

Structure parameters

• Common name: (N,N'-Bis(2,6-di-isopropylphenyl)-pentan-2,4-di-iminato-N,N') -(4-dimethylaminopyridine-N)-nickel(i)
• Chemical name: (N,N'-Bis(2,6-di-isopropylphenyl)-pentan-2,4-di-iminato-N,N') -(4-dimethylaminopyridine-N)-nickel(I)
• Formula: C36 H51 N4 Ni
• Calculated formula: C36 H51 N4 Ni
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C=C(C)N([Ni]1[n]1ccc(cc1)N(C)C)c1c(cccc1C(C)C)C(C)C)C
• Title of publication: A low-coordinate nickel(ii) hydride complex and its reactivity
• Authors of publication: Pfirrmann, Stefan; Limberg, Christian; Ziemer, Burkhard
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 47
• Pages of publication: 6689 - 6691
• a: 8.627 ± 0.0005 Å
• b: 22.8973 ± 0.0013 Å
• c: 16.9475 ± 0.001 Å
• α: 90°
• β: 91.21 ± 0.005°
• γ: 90°
• Cell volume: 3347 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1143
• Residual factor for significantly intense reflections: 0.0921
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.2655
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No