Information card for entry 4109141

Structure parameters

• Formula: C42 H42 N6 Ni2 O6
• Calculated formula: C42 H42 N6 Ni2 O6
• SMILES: [Ni]1234N(c5c(C(=[N]2[Ni]261[N]4=C(c1ccccc1)c1ccccc1N2C(=O)c1[n]6cccc1)c1ccccc1)cccc5)C(=O)c1[n]3cccc1.OC.OC.OC.OC
• 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: 12.6201 ± 0.0018 Å
• b: 12.9334 ± 0.0018 Å
• c: 14.146 ± 0.002 Å
• α: 83.683 ± 0.005°
• β: 69.965 ± 0.005°
• γ: 63.19 ± 0.005°
• Cell volume: 1933.3 ± 0.5 ų
• Cell temperature: 97 ± 2 K
• Ambient diffraction temperature: 97 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1567
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No