Information card for entry 7020980

Structure parameters

• Formula: C29 H18 B F4 N3 Pd
• Calculated formula: C29 H18 B F4 N3 Pd
• Title of publication: A cyclopalladated complex of corannulene with a pyridine pendant and its columnar self-assembly
• Authors of publication: Yamada, Mihoko; Tashiro, Shohei; Miyake, Ryosuke; Shionoya, Mitsuhiko
• Journal of publication: Dalton Transactions
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 10
• Pages of publication: 3300
• a: 20.102 ± 0.003 Å
• b: 7.2793 ± 0.0009 Å
• c: 64.688 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9466 ± 2 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• 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: 0.1475
• Residual factor for significantly intense reflections: 0.1025
• Weighted residual factors for significantly intense reflections: 0.1702
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No