Information card for entry 7231093

Structure parameters

• Chemical name: poly-[(mu5-2-amino-1,4-benzenedicarboxylate -kO:k2O,O':kO':k2O'',O''':kO'')(dimethylformamide)barium(II)]
• Formula: C11 H12 Ba N2 O5
• Calculated formula: C11 H5 Ba N2 O5
• Title of publication: Alkaline-earth metal based MOFs with second scale long-lasting phosphor behavior
• Authors of publication: Briones, David; Leo, Pedro; Cepeda, Javier; Orcajo, Gisela; Calleja, Guillermo; Sanz, Raúl; Rodríguez-Diéguez, Antonio; Martínez, Fernando
• Journal of publication: CrystEngComm
• Year of publication: 2018
• Journal volume: 20
• Journal issue: 33
• Pages of publication: 4793
• a: 10.8141 ± 0.0012 Å
• b: 10.8141 ± 0.0012 Å
• c: 10.244 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1037.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No