Information card for entry 2221812

Structure parameters

• Chemical name: Poly[tetraaqua-μ~3~-benzene-1,2-dicarboxylato-μ~3~-bromido-penta-μ~2~- bromido-octa-μ~3~-isonicotinato-heptacopper(I)trilanthanum(III)]
• Formula: C56 H44 Br6 Cu7 La3 N8 O24
• Calculated formula: C56 H44 Br6 Cu7 La3 N8 O24
• Title of publication: Poly[tetraaqua-μ~3~-benzene-1,2-dicarboxylato-μ~3~-bromido-penta-μ~2~-bromido-octa-μ~3~-isonicotinato-heptacopper(I)trilanthanum(III)]
• Authors of publication: Wang, Guo-Ming; Li, Zeng-Xin; Xue, Shu-Yun; Liu, Hui-Luan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: m550 - m551
• a: 10.1071 ± 0.0005 Å
• b: 19.6311 ± 0.0003 Å
• c: 34.4015 ± 0.0002 Å
• α: 90°
• β: 92.48 ± 0.002°
• γ: 90°
• Cell volume: 6819.3 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0774
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1164
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes