Information card for entry 7043291

Structure parameters

• Formula: C42 H50 N2 Ni O2
• Calculated formula: C42 H50 N2 Ni O2
• SMILES: [Ni]12([N](=C(C(=[N]2c2c(cccc2C(C)C)C(C)C)C)C)c2c(cccc2C(C)C)C(C)C)OC(=C(O1)c1ccccc1)c1ccccc1
• Title of publication: Noninnocent ligands: heteroleptic nickel complexes with α-diimine and 1,2-diketone derivatives
• Authors of publication: Yang, Hong; Zhao, Yanxia; Liu, Bin; Su, Ji-Hu; Fedushkin, Igor L.; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.5244 ± 0.0019 Å
• b: 18.501 ± 0.003 Å
• c: 19.839 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3862.9 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No