Information card for entry 1554509

Structure parameters

• Formula: C74 H86 F12 N2 O6 P4
• Calculated formula: C74 H86 F12 N2 O6 P4
• Title of publication: Anion–π and anion–π-radical interactions in bis(triphenylphosphonium)-naphthalene diimide salts
• Authors of publication: Ng, Chee Koon; Tam, Teck Lip Dexter; Wei, Fengxia; Lu, Xuefeng; Wu, Jishan
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2019
• Journal volume: 6
• Journal issue: 1
• Pages of publication: 110
• a: 15.5817 ± 0.0005 Å
• b: 20.6208 ± 0.0006 Å
• c: 22.0566 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7086.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1075
• Residual factor for significantly intense reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.2711
• Weighted residual factors for all reflections included in the refinement: 0.2756
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No