Information card for entry 4507804

Structure parameters

• Formula: C50 H30 B Cu F4 N8 O4
• Calculated formula: C50 H30 B Cu F4 N8 O4
• 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: 9.611 ± 0.0019 Å
• b: 14.831 ± 0.003 Å
• c: 16.74 ± 0.003 Å
• α: 74.76 ± 0.03°
• β: 75.04 ± 0.03°
• γ: 81.55 ± 0.03°
• Cell volume: 2216.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1854
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No