Information card for entry 4510641

Structure parameters

• Formula: C7 H4 Ba0.5 O2
• Calculated formula: C7 H4 Ba0.5 O2
• Title of publication: Tuning the Dimensionality of Inorganic Connectivity in Barium Coordination Polymers via Biphenyl Carboxylic Acid Ligands
• Authors of publication: Foo, Maw Lin; Horike, Satoshi; Duan, Jingui; Chen, Wenqian; Kitagawa, Susumu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2965
• a: 6.9551 ± 0.0019 Å
• b: 5.9467 ± 0.0015 Å
• c: 13.852 ± 0.004 Å
• α: 90°
• β: 92.399 ± 0.004°
• γ: 90°
• Cell volume: 572.4 ± 0.3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 4
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0129
• Residual factor for significantly intense reflections: 0.0129
• Weighted residual factors for significantly intense reflections: 0.0345
• Weighted residual factors for all reflections included in the refinement: 0.0345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No