Information card for entry 4512232

Structure parameters

• Formula: C64 H88 Cl4 Cu4 N12 O32 S2
• Calculated formula: C64 H80 Cl4 Cu4 N12 O32 S2
• Title of publication: Effect of Spacer Atoms in the Dicarboxylate Linkers on the Formation of Coordination Architectures—Molecular Rectangles vs 1D Coordination Polymers: Synthesis, Crystal Structures, Vapor/Gas Adsorption Studies, and Magnetic Properties
• Authors of publication: Khullar, Sadhika; Mandal, Sanjay K.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 12
• Pages of publication: 6433
• a: 15.6239 ± 0.0016 Å
• b: 20.84 ± 0.002 Å
• c: 24.643 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8023.8 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1514
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2443
• Weighted residual factors for all reflections included in the refinement: 0.2725
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No