Information card for entry 4109140

Structure parameters

• Formula: C55 H57 Cl3 N6 Ni2 O3
• Calculated formula: C55 H57 Cl3 N6 Ni2 O3
• SMILES: [Ni]1234N(c5ccccc5C(=[N]4[Ni]451N(c1c(C(=[N]34)c3ccccc3)cccc1)C(=O)[C@H]1[N]5(CCC1)Cc1ccccc1)c1ccccc1)C(=O)[C@H]1[N]2(CCC1)Cc1ccccc1.ClC(Cl)Cl.O(CC)CC
• 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: 10.7378 ± 0.0006 Å
• b: 11.807 ± 0.0007 Å
• c: 39.466 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5003.5 ± 0.5 ų
• Cell temperature: 98 ± 2 K
• Ambient diffraction temperature: 98 ± 2 K
• Number of distinct elements: 6
• 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: 0.0282
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0668
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No