Information card for entry 2017330

Structure parameters

• Chemical name: bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate
• Formula: C40 H26 Cl8 N4 O11
• Calculated formula: C40 H20 Cl8 N4 O11
• Title of publication: Hydrogen-bond-directed supramolecular arrays in 4,4'-bipyridinium tetrachloroterephthalate dihydrate and bis(1,10-phenanthrolinium) tetrachloroterephthalate tetrachloroterephthalic acid trihydrate
• Authors of publication: He, Ming-Yang; Zhang, Zhi-Hui; Lu, Lu-De; Yang, Xu-Jie; Wang, Xin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 10
• Pages of publication: o525 - o528
• a: 8.2931 ± 0.0011 Å
• b: 12.0916 ± 0.0016 Å
• c: 12.3108 ± 0.0016 Å
• α: 102.127 ± 0.002°
• β: 109.454 ± 0.001°
• γ: 106.072 ± 0.002°
• Cell volume: 1054.4 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1343
• Weighted residual factors for all reflections included in the refinement: 0.1467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes