Information card for entry 4507798

Structure parameters

• Formula: C52 H36 N10 O8
• Calculated formula: C52 H36 N10 O8
• 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: 9.4964 ± 0.0011 Å
• b: 19.218 ± 0.002 Å
• c: 26.352 ± 0.003 Å
• α: 90°
• β: 98.503 ± 0.006°
• γ: 90°
• Cell volume: 4756.4 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.2348
• Weighted residual factors for all reflections included in the refinement: 0.258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No