Information card for entry 4318827

Structure parameters

• Formula: C42 H42 B4 F16 N12 Ni2
• Calculated formula: C42 H42 B4 F16.01 N12 Ni2
• Title of publication: Design and Crystal Structures of Triple Helicates with Crystallographic Idealized D3 Symmetry: The Role of Side Chain Effect on Crystal Packing
• Authors of publication: Guo Dong; Pang Ke-liang; Duan Chun-ying; He Cheng; Meng Qing-jin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 5978 - 5985
• a: 21.98 ± 0.003 Å
• b: 21.98 ± 0.003 Å
• c: 21.98 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10619 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0771
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No