Information card for entry 7128192

Structure parameters

• Chemical name: (H2TMEDA)3Fe2(N,N'-bis(3-carboxylate-2-hydroxyphenyl)terephthalamide )3.DMF
• Formula: C84 H86 Fe2 N12 O26
• Calculated formula: C84 H86 Fe2 N12 O26
• 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: 23.0817 ± 0.0005 Å
• b: 23.3506 ± 0.0005 Å
• c: 10.0089 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5394.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 34
• Hermann-Mauguin space group symbol: P n n 2
• Hall space group symbol: P 2 -2n
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1399
• Weighted residual factors for all reflections included in the refinement: 0.1593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No