Information card for entry 7026355

Structure parameters

• Formula: C50 H40 Cu3 F12 N4 O12
• Calculated formula: C50 H40 Cu3 F12 N4 O12
• Title of publication: Solvothermal syntheses, structures, and physical properties of four new coordination compounds constructed from a bent dicarboxylate ligand.
• Authors of publication: Ji, Changchun; Huang, Liangfang; Li, Jing; Zheng, Hegen; Li, Yizhi; Guo, Zijian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 35
• Pages of publication: 8240 - 8247
• a: 25.003 ± 0.003 Å
• b: 8.107 ± 0.002 Å
• c: 28.4059 ± 0.0019 Å
• α: 90°
• β: 116.11 ± 0.003°
• γ: 90°
• Cell volume: 5170.3 ± 1.5 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No