Information card for entry 1560679

Structure parameters

• Formula: C20 H16 Ba O6
• Calculated formula: C20 H16 Ba O6
• Title of publication: Band gaps and photocurrent responses of two novel alkaline earth metal(II) complexes based on 4,5-di(4′-carboxylphenyl)benzene
• Authors of publication: Meng, Jiang Ping; Yan, Zhi Shuo; Long, Ji Ying; Gong, Yun; Lin, Jian Hua
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 245
• Pages of publication: 74 - 81
• a: 19.0308 ± 0.0016 Å
• b: 12.4274 ± 0.0011 Å
• c: 7.8399 ± 0.0007 Å
• α: 90°
• β: 101.846 ± 0.002°
• γ: 90°
• Cell volume: 1814.7 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No