Information card for entry 7228065

Structure parameters

• Formula: C31 H32 Br2 N8 O4
• Calculated formula: C31 H32 Br2 N8 O4
• Title of publication: Mixed halide/oxoanion-templated frameworks
• Authors of publication: Morshedi, Mahbod; White, Nicholas G.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 17
• Pages of publication: 2367
• a: 12.07173 ± 0.00018 Å
• b: 12.07173 ± 0.00018 Å
• c: 11.3545 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1654.65 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 85
• Hermann-Mauguin space group symbol: P 4/n :2
• Hall space group symbol: -P 4a
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections: 0.188
• Weighted residual factors for significantly intense reflections: 0.1877
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0299
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No