Information card for entry 7035137

Structure parameters

• Formula: C61.5 H73.5 Br3 N14.5 O30 S Zn4
• Calculated formula: C54 H41 Br3 N12 O20 S 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: 12.906 ± 0.0016 Å
• b: 18.564 ± 0.002 Å
• c: 20.441 ± 0.003 Å
• α: 96.646 ± 0.002°
• β: 108.014 ± 0.002°
• γ: 100.107 ± 0.002°
• Cell volume: 4508.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No