Information card for entry 2228076

Structure parameters

• Chemical name: <i>catena</i>-Poly[[[di-μ-aqua-μ-fumarato-μ-(boric acid)-disodium]-di-μ-aqua] boric acid monosolvate]
• Formula: C4 H16 B2 Na2 O14
• Calculated formula: C4 H16 B2 Na2 O14
• SMILES: B(O)(O)O.B(O)(O)O.C(=O)(/C=C/C(=O)[O-])[O-].[Na+].[Na+].O.O.O.O
• Title of publication: A novel inorganic‒organic hybrid borate, poly{[Na~2~(C~4~H~2~O~4~)(H~3~BO~3~)(H~2~O)~4~]·H~3~BO~3~}
• Authors of publication: Shao, Zhi-Dong; Zhang, Yu-Qi; Wu, Shu-Li; Liang, Yun-Xiao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1460 - m1461
• a: 14.116 ± 0.003 Å
• b: 6.9347 ± 0.0014 Å
• c: 14.997 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1468.1 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes