Information card for entry 7035136

Structure parameters

• Formula: C76 H88 Br2 N24 O33 S2 Zn4
• Calculated formula: C76 H54 Br2 N24 O33 S2 Zn4
• Title of publication: Solvent-dependent zinc(ii) coordination polymers with mixed ligands: selective sorption and fluorescence sensing.
• Authors of publication: Hua, Ji-Ai; Zhao, Yue; Kang, Yan-Shang; Lu, Yi; Sun, Wei-Yin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11524 - 11532
• a: 18.198 ± 0.0014 Å
• b: 18.198 ± 0.0014 Å
• c: 28.872 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9561 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 133
• Hermann-Mauguin space group symbol: P 42/n b c :2
• Hall space group symbol: -P 4ac 2b
• Residual factor for all reflections: 0.0748
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1904
• Weighted residual factors for all reflections included in the refinement: 0.204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No