Information card for entry 4344004

Structure parameters

• Formula: C4 H9 B5 O15 Pr2
• Calculated formula: C4 H9 B5 O15 Pr2
• Title of publication: Series of SHG Materials Based on Lanthanide Borate-Acetate Mixed Anion Compounds.
• Authors of publication: Yang, Hui; Hu, Chun-Li; Xu, Xiang; Mao, Jiang-Gao
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7516 - 7523
• a: 10.6897 ± 0.0009 Å
• b: 19.9883 ± 0.0016 Å
• c: 6.4273 ± 0.0005 Å
• α: 90°
• β: 90.545 ± 0.008°
• γ: 90°
• Cell volume: 1373.25 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.162
• Weighted residual factors for all reflections included in the refinement: 0.1697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No