Information card for entry 2209873

Structure parameters

• Chemical name: poly[[aquabis(benzene-1,3-dicarboxylato)bis(3-carboxybenzoato)digadolinium(III)] monohydrate], [Gd~2~(C~8~H~4~O~4~)~2~(C~8~H~5~O~4~)~2~(H~2~O)].H~2~O
• Formula: C32 H22 Gd2 O18
• Calculated formula: C32 H22 Gd2 O18
• Title of publication: Poly[[aquabis(μ-benzene-1,3-dicarboxylato)bis(μ-3-carboxybenzoato)digadolinium(III)] monohydrate]
• Authors of publication: Ji-Lin Lu; Da-Shun Zhang; Bei-Ping Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 8
• Pages of publication: m1760 - m1762
• a: 10.438 ± 0.002 Å
• b: 13.811 ± 0.003 Å
• c: 21.254 ± 0.004 Å
• α: 90°
• β: 95.6 ± 0.03°
• γ: 90°
• Cell volume: 3049.3 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.051
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes