Information card for entry 7004623

Structure parameters

• Formula: C41 H47 B Cl2 Cu F4 N5 O4 S2
• Calculated formula: C41 H47 B Cl2 Cu F4 N5 O4 S2
• Title of publication: Designing new ligands: asymmetric cyclopropanation by Cu(i) complexes based on functionalised pyridine-containing macrocyclic ligands
• Authors of publication: Caselli, Alessandro; Cesana, Francesca; Gallo, Emma; Casati, Nicola; Macchi, Piero; Sisti, Massimo; Celentano, Giuseppe; Cenini, Sergio
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 32
• Pages of publication: 4202 - 4205
• a: 9.758 ± 0.005 Å
• b: 15.027 ± 0.005 Å
• c: 15.102 ± 0.005 Å
• α: 90°
• β: 93.652 ± 0.005°
• γ: 90°
• Cell volume: 2210 ± 1.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1256
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No