Information card for entry 7241029

Structure parameters

• Formula: C26 H42 Br4 N8 O4
• Calculated formula: C26 H34 Br4 N8 O4
• Title of publication: Structural investigation of bromide complexation with bipodal, tripodal and tetrapodal cationic molecules
• Authors of publication: Ling, Irene; Sobolev, Alexandre N.; Loh, Sze Le; Turner, Gemma F.; Moggach, Stephen A.
• Journal of publication: CrystEngComm
• Year of publication: 2020
• a: 28.3447 ± 0.0004 Å
• b: 8.4739 ± 0.0001 Å
• c: 18.2377 ± 0.0003 Å
• α: 90°
• β: 128.822 ± 0.001°
• γ: 90°
• Cell volume: 3412.85 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0488
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No