Information card for entry 1572328

Structure parameters

• Formula: C76 H100 Br4 N8 O10
• Calculated formula: C76 H100 Br4 N8 O10
• Title of publication: Dynamic and solid-state behaviour of bromoisotrianglimine.
• Authors of publication: Scholes, Abbie M.; Kershaw Cook, Laurence J.; Szczypiński, Filip T; Luzyanin, Konstantin V.; Egleston, Benjamin D.; Greenaway, Rebecca L.; Slater, Anna G.
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 35
• Pages of publication: 14254 - 14263
• a: 16.345 ± 0.0007 Å
• b: 17.4893 ± 0.0006 Å
• c: 26.7421 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7644.6 ± 0.5 ų
• Cell temperature: 100.01 ± 0.11 K
• Ambient diffraction temperature: 100.01 ± 0.11 K
• Number of distinct elements: 5
• Space group number: 24
• Hermann-Mauguin space group symbol: I 21 21 21
• Hall space group symbol: I 2b 2c
• Residual factor for all reflections: 0.1112
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1911
• Weighted residual factors for all reflections included in the refinement: 0.209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No