Information card for entry 7128187

Structure parameters

• Chemical name: (guanidinium)4Cu2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )2.H2O.iPrOH
• Formula: C54 H65 Cu2 N16 O19
• Calculated formula: C54 H65 Cu2 N16 O19
• Title of publication: A new class of anionic metallohelicates based on salicylic and terephthalic acid units, accessible in solution and by mechanochemistry.
• Authors of publication: Do, Jean-Louis; Titi, Hatem M.; Cuccia, Louis A.; Friščić, Tomislav
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 42
• Pages of publication: 5143 - 5146
• a: 26.6408 ± 0.0015 Å
• b: 12.2924 ± 0.0007 Å
• c: 22.7172 ± 0.0012 Å
• α: 90°
• β: 110.066 ± 0.002°
• γ: 90°
• Cell volume: 6987.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0464
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1098
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No