Information card for entry 4327018

Structure parameters

• Formula: C27 H16 Ba O7
• Calculated formula: C27 H16 Ba O7
• Title of publication: Synthesis and Characterization of a 1-D Porous Barium Carboxylate Coordination Polymer, [Ba(HBTB)] (H3BTB = Benzene-1,3,5-trisbenzoic Acid)
• Authors of publication: Maw Lin Foo; Satoshi Horike; Susumu Kitagawa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11853 - 11855
• a: 7.3162 ± 0.0011 Å
• b: 19.404 ± 0.003 Å
• c: 26.155 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3713.1 ± 1 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No