Information card for entry 2235660

Structure parameters

• Chemical name: <i>catena</i>-Poly[[gallium(III)-bis[μ-<i>D</i>/<i>L</i>-tartrato(2-)]- gallium(III)-di-μ-hydroxido] dihydrate]
• Formula: C8 H14 Ga2 O16
• Calculated formula: C8 H14 Ga2 O16
• SMILES: [Ga]1234([OH][C@H](C(O1)=O)[C@@H]1[OH][Ga]56(OC1=O)([OH][C@@H]([C@H]([OH]2)C(=O)O3)C(=O)O5)[OH][Ga]12([OH]6)([OH][C@@H](C(O1)=O)[C@H](C(=O)[O-])O)[OH][C@@H](C(O2)=O)[C@H](C(=O)[O-])O)[OH][Ga][OH]4.O.O.O.O
• Title of publication: <i>catena</i>-Poly[[gallium(III)-bis[μ-<small>D</small>/<small>L</small>-tartrato(2{-})]-gallium(III)-di-μ-hydroxido] dihydrate]
• Authors of publication: Liu, Xiaojing; Tian, Ruijing; Zhang, Cailing; Zhi, Xia; Pan, Qinhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m989 - m990
• a: 8.683 ± 0.0017 Å
• b: 10.797 ± 0.002 Å
• c: 16.158 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1514.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0708
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes