Information card for entry 7701258

Structure parameters

• Formula: C64 H68 Br3 Cu3 N4 O4 S4
• Calculated formula: C64 H68 Br3 Cu3 N4 O4 S4
• Title of publication: Three thiacalix[4]arene-based Cu(i) coordination polymers: catalytic activities for azide-alkyne cycloaddition reactions and luminescence properties.
• Authors of publication: Li, Jian-Fang; Du, Peng; Liu, Ying-Ying; Xu, Guo-Hai; Ma, Jian-Fang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 12
• Pages of publication: 3715 - 3722
• a: 10.9843 ± 0.0007 Å
• b: 16.0778 ± 0.0011 Å
• c: 19.4622 ± 0.001 Å
• α: 108.212 ± 0.005°
• β: 91.375 ± 0.004°
• γ: 99.797 ± 0.005°
• Cell volume: 3206.3 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0908
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No