Information card for entry 4318823

Structure parameters

• Formula: C78 H66 B4 F16 N12 O3 Zn2
• Calculated formula: C78 H66 B4 F16 N12 O3 Zn2
• 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: 10.5469 ± 0.0008 Å
• b: 10.5469 ± 0.0008 Å
• c: 40.909 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3940.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1455
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No