Information card for entry 4109143

Structure parameters

• Formula: C58 H50 N6 Ni2 O2
• Calculated formula: C58 H50 N6 Ni2 O2
• SMILES: C1(=O)C[N](Cc2ccccc2)(Cc2ccccc2)[Ni]234N1c1ccccc1C(=[N]3[Ni]134[N]2=C(c2c(N1C(=O)C[N]3(Cc1ccccc1)Cc1ccccc1)cccc2)c1ccccc1)c1ccccc1
• Title of publication: Design, Synthesis, and Characterization of Binuclear Ni(II) Complexes with Inherent Helical Chirality
• Authors of publication: Vadim A. Soloshonok; Hisanori Ueki
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 2426 - 2427
• a: 15.11 ± 0.003 Å
• b: 15.309 ± 0.003 Å
• c: 20.414 ± 0.003 Å
• α: 90°
• β: 98.416 ± 0.002°
• γ: 90°
• Cell volume: 4671.3 ± 1.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0744
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No