Information card for entry 4317272

Structure parameters

• Formula: C576 H1168 Ce12 N48 O332 S120
• Calculated formula: C576 H1167.84 Ce12 N48 O332 S120
• Title of publication: Structures and Properties of Porous Coordination Polymers Based on Lanthanide Carboxylate Building Units
• Authors of publication: Yinfeng Han; Xiaoyan Li; Liqing Li; Chunlin Ma; Zhen Shen; You Song; Xiaozeng You
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10781 - 10787
• a: 39.854 ± 0.002 Å
• b: 39.854 ± 0.002 Å
• c: 39.854 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 63302 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 206
• Hermann-Mauguin space group symbol: I a -3
• Hall space group symbol: -I 2b 2c 3
• Residual factor for all reflections: 0.0831
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0916
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No