Information card for entry 2243133

Structure parameters

• Chemical name: Poly[[(μ~2~-hydroxido)(μ~2~-1<i>H</i>-pyrazole-3,5-dicarboxylato)gallium(III)] monohydrate]
• Formula: C5 H5 Ga N2 O6
• Calculated formula: C5 H5 Ga N2 O6
• Title of publication: One-dimensional ladder gallium coordination polymer
• Authors of publication: Simões, Andrea B.; Figueira, Flávio; Mendes, Ricardo F.; Barbosa, Jéssica S.; Rocha, João; Paz, Filipe A. Almeida
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 11
• Pages of publication: 1607 - 1612
• a: 6.6055 ± 0.0013 Å
• b: 6.883 ± 0.0016 Å
• c: 8.5178 ± 0.0019 Å
• α: 94.804 ± 0.008°
• β: 101.306 ± 0.007°
• γ: 108.596 ± 0.007°
• Cell volume: 355.44 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes