Information card for entry 4507802

Structure parameters

• Formula: C116 H108 B2 Cu2 F8 N32 O40
• Calculated formula: C96 H48 B2 Cu2 F8 N12
• Title of publication: Two-Dimensional and Three-Dimensional Coordination Polymers of Hexakis(4-cyanophenyl)[3]radialene: The Role of Stoichiometry and Kinetics
• Authors of publication: Hollis, Courtney A.; Batten, Stuart R.; Sumby, Christopher J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 6
• Pages of publication: 2350
• a: 23.47 ± 0.005 Å
• b: 22.051 ± 0.004 Å
• c: 52.645 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 27246 ± 9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0867
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.2232
• Weighted residual factors for all reflections included in the refinement: 0.2338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No