Information card for entry 7004817

Structure parameters

• Common name: (N,N'-Bis(2,6-di-isopropylphenyl)-pentan-2,4-di-iminato - N,N')-(propionitrile-N)-nickel(i)
• Chemical name: (N,N'-Bis(2,6-di-isopropylphenyl)-pentan-2,4-di-iminato -N,N')-(propionitrile-N)-nickel(I)
• Formula: C32 H46 N3 Ni
• Calculated formula: C32 H46 N3 Ni
• SMILES: C1(=[N](c2c(cccc2C(C)C)C(C)C)[Ni](N(C(=C1)C)c1c(cccc1C(C)C)C(C)C)[N]#CCC)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: 8.812 ± 0.002 Å
• b: 9.1249 ± 0.0016 Å
• c: 19.98 ± 0.004 Å
• α: 87.59 ± 0.02°
• β: 80.83 ± 0.03°
• γ: 73.63 ± 0.03°
• Cell volume: 1521.7 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.0534
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 0.985
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No