Information card for entry 7131058

Structure parameters

• Formula: C4 H14 B2 Na2 O14
• Calculated formula: C4 H14 B2 Na2 O14
• Title of publication: Na₂(C₄O₄)(H₃BO₃)(H₂O)₄·H₃BO₃: the first borate-squarate with strong SHG response obtained by superior synergy.
• Authors of publication: Yan, Dong; Ma, Yao; Huang, Hongbo; Zhang, Bingbing; Tang, Ru-Ling; Hu, Liang; Mao, Fei-Fei; Zheng, Jie; Zhang, Xiu-Du; Li, Shu-Fang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 59
• Journal issue: 2
• Pages of publication: 219 - 222
• a: 6.9611 ± 0.0005 Å
• b: 16.1581 ± 0.0011 Å
• c: 12.5919 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1416.31 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0286
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No