Information card for entry 4070433

Structure parameters

• Chemical name: Bis((N,N'-bis(2,6-di-isopropylphenyl)pentan-2,4-di- iminato-N,N')-nickel(I)
• Formula: C58 H82 N4 Ni2
• Calculated formula: C58 H82 N4 Ni2
• SMILES: [cH]12[cH]3[Ni]41N(C(=CC(=[N]4c1c(cccc1C(C)C)C(C)C)C)C)c1c([cH]4[cH](cc1C(C)C)[Ni]14N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c(c3C(C)C)c(c2)C(C)C)C(C)C
• Title of publication: β-Diketiminato Nickel(I) Complexes with Very Weak Ligation Allowing for H2and N2Activation
• Authors of publication: Pfirrmann, Stefan; Yao, Shenglai; Ziemer, Burkhard; Stösser, Reinhard; Driess, Matthias; Limberg, Christian
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 24
• Pages of publication: 6855
• a: 17.0249 ± 0.0008 Å
• b: 18.1902 ± 0.0009 Å
• c: 16.8559 ± 0.0007 Å
• α: 90°
• β: 90.302 ± 0.004°
• γ: 90°
• Cell volume: 5220 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0395
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No