Information card for entry 7119171

Structure parameters

• Formula: C70 H56 B Cd2 F4 N10 O8
• Calculated formula: C70 H56 B Cd2 F4 N10 O8
• Title of publication: Post-synthetic modifications of cadmium-based knots and links
• Authors of publication: Thirumurugan Prakasam; Rana A. Bilbeisi; Matteo Lusi; John-Carl Olsen; Carlos Platas-Iglesias; Ali Trabolsi
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7398
• a: 12.5188 ± 0.0005 Å
• b: 15.3848 ± 0.0007 Å
• c: 42.5644 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8197.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0792
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.2078
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.449
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No