Information card for entry 4332371

Structure parameters

• Formula: C36 H32 Ba5 Br5 N10 O41.11
• Calculated formula: C36 H32 Ba5 Br5 N10 O41.114
• Title of publication: Metal−Organic Frameworks Derived from Imidazolium Dicarboxylates and Group I and II Salts
• Authors of publication: Fei, Zhaofu; Geldbach, Tilmann J.; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6331 - 6337
• a: 11.8185 ± 0.0007 Å
• b: 12.3124 ± 0.0007 Å
• c: 13.1178 ± 0.0005 Å
• α: 105.826 ± 0.005°
• β: 103.715 ± 0.005°
• γ: 95.216 ± 0.005°
• Cell volume: 1759.22 ± 0.18 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0404
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No