Information card for entry 7212779

Structure parameters

• Formula: C22 H16 Ba F12 N4 O4
• Calculated formula: C22 H16 Ba F12 N4 O4
• Title of publication: Barium one-dimensional coordination polymers from barium β-diketonates and 2,2′-bipyrimidine derivatives
• Authors of publication: Pointillart, Fabrice; Boubekeur, Kamal; Herson, Patrick; Train, Cyrille
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3430
• a: 11.739 ± 0.001 Å
• b: 13.346 ± 0.0009 Å
• c: 19.504 ± 0.0017 Å
• α: 81.75 ± 0.005°
• β: 85.689 ± 0.006°
• γ: 72.637 ± 0.005°
• Cell volume: 2884.6 ± 0.4 ų
• Cell temperature: 250 ± 2 K
• Ambient diffraction temperature: 250 ± 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: 0.1263
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1297
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No