Information card for entry 4109142

Structure parameters

• Formula: C46 H58.5 N6 Ni2 O2.25
• Calculated formula: C46 H58.25 N6 Ni2 O2.25
• 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: 9.7788 ± 0.0016 Å
• b: 14.374 ± 0.002 Å
• c: 15.608 ± 0.002 Å
• α: 89.393 ± 0.005°
• β: 74.856 ± 0.005°
• γ: 80.224 ± 0.005°
• Cell volume: 2085.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0318
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No