Information card for entry 7121818

Structure parameters

• Formula: C44 H58 Cl2 N4 O6
• Calculated formula: C44 H58 Cl2 N4 O6
• 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: 7.9255 ± 0.0005 Å
• b: 9.259 ± 0.0006 Å
• c: 15.1784 ± 0.0009 Å
• α: 96.993 ± 0.002°
• β: 98.728 ± 0.002°
• γ: 98.758 ± 0.002°
• Cell volume: 1076.06 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.171
• Weighted residual factors for all reflections included in the refinement: 0.1726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No