Information card for entry 7121819

Structure parameters

• Formula: C46 H55 F12 N7 O4 P2
• Calculated formula: C46 H52 F12 N7 O4 P2
• Title of publication: Anion-π interactions of highly π-acidic dipyridinium-naphthalene diimide salts.
• Authors of publication: Tam, Teck Lip Dexter; Ng, Chee Koon; Lu, Xuefeng; Lim, Zheng Long; Wu, Jishan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 53
• Pages of publication: 7374 - 7377
• a: 12.698 ± 0.0005 Å
• b: 17.0155 ± 0.0008 Å
• c: 23.0412 ± 0.001 Å
• α: 90°
• β: 96.201 ± 0.002°
• γ: 90°
• Cell volume: 4949.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.101
• Residual factor for significantly intense reflections: 0.0901
• Weighted residual factors for significantly intense reflections: 0.2703
• Weighted residual factors for all reflections included in the refinement: 0.2855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No