Information card for entry 7004816

Structure parameters

• Common name: Bis(mu!2$-hydrido)-(N,N'-bis(2,6-di-isopropylphenyl) -pentan- 2,4-di-iminato-N,N')-nickel(ii)
• Chemical name: Bis(μ~2~-hydrido)-(N,N'-bis(2,6-di-isopropylphenyl) -pentan-2,4-di-iminato-N,N')-nickel(II)
• Formula: C62 H94 N4 Ni2 O
• Calculated formula: C62 H94 N4 Ni2 O
• SMILES: c1(c(cccc1C(C)C)C(C)C)[N]1=C(C=C(C)N([Ni]231[H][Ni]12(N(c2c(cccc2C(C)C)C(C)C)C(=CC(C)=[N]1c1c(cccc1C(C)C)C(C)C)C)[H]3)c1c(cccc1C(C)C)C(C)C)C.CCOCC
• 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: 11.5933 ± 0.0013 Å
• b: 18.187 ± 0.002 Å
• c: 28.265 ± 0.004 Å
• α: 90°
• β: 98.742 ± 0.015°
• γ: 90°
• Cell volume: 5890.4 ± 1.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.0735
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.811
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No