Information card for entry 7220131

Structure parameters

• Formula: C64 H48 N40 O16 S0 Zn4
• Calculated formula: C64 H48 N40 O16 Zn4
• Title of publication: Substituted group directed assembly of zinc coordination compounds based on bifunctional ligands, from mono, di to tristetrazole-carboxylate
• Authors of publication: Li, Qiao-Yun; Tian, He; Li, Xiu Yun; Zou, Jian Hua; Mei, Guo Dong; Qiu, Li Jun; Wei, Bo; Yang, Gao-Wen
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 22.524 ± 0.004 Å
• b: 8.637 ± 0.0017 Å
• c: 9.758 ± 0.002 Å
• α: 90°
• β: 113.25 ± 0.03°
• γ: 90°
• Cell volume: 1744.2 ± 0.7 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: 0.091
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No