Information card for entry 2232105

Structure parameters

• Chemical name: Poly[[aquatris(μ~4~-benzene-1,2-dicarboxylato)dilanthanum(III)] hemihydrate]
• Formula: C48 H30 La4 O27
• Calculated formula: C48 H30 La4 O27
• Title of publication: Poly[[aquatris(μ~4~-benzene-1,2-dicarboxylato)dilanthanum(III)] hemihydrate]
• Authors of publication: Lush, Shie Fu; Shen, Fwu Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1370 - m1371
• a: 8.6269 ± 0.0019 Å
• b: 10.5832 ± 0.0017 Å
• c: 14.323 ± 0.002 Å
• α: 97.271 ± 0.018°
• β: 102.199 ± 0.006°
• γ: 104.489 ± 0.008°
• Cell volume: 1215.1 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0819
• Weighted residual factors for all reflections included in the refinement: 0.0865
• 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