Information card for entry 4345980

Structure parameters

• Formula: C20 H58.51 N6 O26 P6 S2
• Calculated formula: C20 H58.512 N6 O25.994 P6 S2
• Title of publication: Phosphate binding with a thiophene-based azamacrocycle in water
• Authors of publication: Saeed, Musabbir A.; Pramanik, Avijit; Hossain, Md. Alamgir
• Journal of publication: Inorganic Chemistry Communications
• Year of publication: 2012
• Journal volume: 21
• Pages of publication: 32 - 34
• a: 15.984 ± 0.009 Å
• b: 20.991 ± 0.012 Å
• c: 26.596 ± 0.016 Å
• α: 90°
• β: 101.21 ± 0.02°
• γ: 90°
• Cell volume: 8753 ± 9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1807
• Residual factor for significantly intense reflections: 0.1513
• Weighted residual factors for significantly intense reflections: 0.3848
• Weighted residual factors for all reflections included in the refinement: 0.4086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.347
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No