Information card for entry 7200839

Structure parameters

• Formula: C19 H17 N2 O9.5 Zn2
• Calculated formula: C19 H17 N2 O9.5 Zn2
• Title of publication: Configuration determination of flexible tetracarboxylate ligands in two supramolecular structures
• Authors of publication: Zhang, Lei; Lin, Qi-Pu; Li, Zhao-Ji; Zhang, Jian; Qin, Ye-Yan; Cheng, Jian-Kai; Yao, Yuan-Gen
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1201
• a: 8.44 ± 0.007 Å
• b: 9.794 ± 0.008 Å
• c: 12.998 ± 0.011 Å
• α: 92.785 ± 0.009°
• β: 108.818 ± 0.011°
• γ: 91.918 ± 0.011°
• Cell volume: 1014.4 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0769
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No