Information card for entry 7053633

Structure parameters

• Formula: C39 H41 O12 Zn2
• Calculated formula: C39 H41 O12 Zn2
• Title of publication: The effect of the conformation of flexible carboxylate ligands on the structures of metal‒organic supramolecules
• Authors of publication: Dai, Fangna; Gong, Shuwen; Cui, Peipei; Zhang, Guoqing; Qiu, Xiaoliang; Ye, Fei; Sun, Daofeng; Pang, Zhijian; Zhang, Lei; Dong, Guilin; Zhang, Changqiao
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2496
• a: 12.2854 ± 0.0019 Å
• b: 13.199 ± 0.002 Å
• c: 14.514 ± 0.002 Å
• α: 66.739 ± 0.002°
• β: 65.433 ± 0.003°
• γ: 63.684 ± 0.002°
• Cell volume: 1853.5 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.118
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No