Information card for entry 8000388

Structure parameters

• Common name: AMU-1
• Chemical name: Co(1,4-benzenedicarboxylate)(1,4-diazabicyclo[2.2.2]octane)H2O
• Formula: C14 H16 Co N2 O5
• Calculated formula: C14 H16 Co N2 O5
• Title of publication: Piezochromic Porous Metal-Organic Framework.
• Authors of publication: Andrzejewski, Michał; Katrusiak, Andrzej
• Journal of publication: The journal of physical chemistry letters
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 279 - 284
• a: 5.744 ± 0.003 Å
• b: 6.981 ± 0.004 Å
• c: 10.557 ± 0.016 Å
• α: 90.04 ± 0.1°
• β: 97.92 ± 0.1°
• γ: 94.77 ± 0.04°
• Cell volume: 417.8 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.347
• Residual factor for significantly intense reflections: 0.2711
• Weighted residual factors for significantly intense reflections: 0.5372
• Weighted residual factors for all reflections included in the refinement: 0.5818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.795
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No