Information card for entry 4336714

Structure parameters

• Formula: C104 H87 B4 F16 N21 Ni2
• Calculated formula: C104 H72 B4 F16 N21 Ni2
• Title of publication: Meso-Helicates with Rigid Angular Tetradentate Ligand: Design, Molecular Structures, and Progress Towards Self-Assembly of Metal-Organic Nanotubes
• Authors of publication: Rodrigue Djeda; Christophe Desmarets; Lise-Marie Chamoreau; Yanling Li; Yves Journaux; Geoffrey Gontard; Hani Amouri
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13042 - 13047
• a: 12.2211 ± 0.0005 Å
• b: 12.3191 ± 0.0005 Å
• c: 20.3835 ± 0.0008 Å
• α: 79.794 ± 0.002°
• β: 82.135 ± 0.002°
• γ: 61.101 ± 0.001°
• Cell volume: 2639.46 ± 0.19 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0882
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1908
• Weighted residual factors for all reflections included in the refinement: 0.2099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No