Information card for entry 4503583

Structure parameters

• Formula: C80 H58 Mn4 N16 O17
• Calculated formula: C80 H56 Mn4 N16 O17
• Title of publication: Self-Penetrating and Interpenetrating 3D Metal−Organic Frameworks Constructed from the Rigid 1,4-Bis(1-imidazolyl)-benzene Ligand and Aromatic Carboxylate
• Authors of publication: Qi, Yan; Che, Yun-Xia; Zheng, Ji-Min
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 10
• Pages of publication: 3602
• a: 10.144 ± 0.002 Å
• b: 13.937 ± 0.003 Å
• c: 15.24 ± 0.003 Å
• α: 116.36 ± 0.03°
• β: 101.66 ± 0.03°
• γ: 91.11 ± 0.03°
• Cell volume: 1876 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.201
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2015
• Weighted residual factors for all reflections included in the refinement: 0.2507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No