Information card for entry 7039010

Structure parameters

• Formula: C8 H4 Ba O6
• Calculated formula: C8 H4 Ba O6
• Title of publication: Microwave-assisted ionothermal synthesis of a water-stable Eu-coordination polymer: a Ba(2+) ion detector and fluorescence thermometer.
• Authors of publication: Wang, Ze-Ping; Hu, Bing; Qi, Xing-Hui; Shen, Nan-Nan; Huang, Xiao-Ying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8745 - 8752
• a: 7.3881 ± 0.0004 Å
• b: 7.43 ± 0.0003 Å
• c: 8.0377 ± 0.0004 Å
• α: 69.771 ± 0.004°
• β: 67.998 ± 0.005°
• γ: 79.288 ± 0.004°
• Cell volume: 383.05 ± 0.04 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No