Information card for entry 7038630

Structure parameters

• Formula: C42 H70 Cl4 Cu6 N8 O33
• Calculated formula: C42 H68 Cl4 Cu6 N8 O33
• Title of publication: Unique trapping of paddlewheel copper(ii) carboxylate by ligand-bound {Cu2} fragments for [Cu6] assembly.
• Authors of publication: Chattopadhyay, Krishna; Shaw, Bikash Kumar; Saha, Shyamal Kumar; Ray, Debashis
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6928 - 6938
• a: 10.1433 ± 0.0016 Å
• b: 12.7099 ± 0.0019 Å
• c: 14.23 ± 0.002 Å
• α: 115.462 ± 0.004°
• β: 96.643 ± 0.005°
• γ: 104.762 ± 0.004°
• Cell volume: 1547.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No