Information card for entry 4506819

Structure parameters

• Formula: C24 H32 Br Cl4 Cu O4 S2
• Calculated formula: C24 H32 Br Cl4 Cu O4 S2
• Title of publication: Assembly of Soft Metal Complexes of an O4S2-Macrocycle Displaying Endocyclic Monomer, Dumbbell-Like Dimer, and Endo-/Exocyclic Polymer Structures
• Authors of publication: Ju, Huiyeong; Lee, Shim Sung
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 10
• Pages of publication: 4972
• a: 11.5178 ± 0.001 Å
• b: 11.541 ± 0.0009 Å
• c: 25.014 ± 0.002 Å
• α: 84.761 ± 0.005°
• β: 81.272 ± 0.005°
• γ: 66.153 ± 0.004°
• Cell volume: 3004.3 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1965
• Residual factor for significantly intense reflections: 0.1787
• Weighted residual factors for significantly intense reflections: 0.4197
• Weighted residual factors for all reflections included in the refinement: 0.4266
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No