Information card for entry 7212777

Structure parameters

• Formula: C49 H29 Ba2 F24 N14 O9
• Calculated formula: C49 H25 Ba2 F24 N14 O9
• 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: 14.043 ± 0.003 Å
• b: 18.608 ± 0.005 Å
• c: 24.308 ± 0.006 Å
• α: 90°
• β: 100.143 ± 0.017°
• γ: 90°
• Cell volume: 6253 ± 3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections: 0.0898
• Weighted residual factors for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0408
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No