Information card for entry 7004622

Structure parameters

• Formula: C39 H42 Cl Cu F3 N4 O7 S3
• Calculated formula: C39 H42 Cl Cu F3 N4 O7 S3
• 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: 19.1493 ± 0.0013 Å
• b: 19.1493 ± 0.0013 Å
• c: 13.415 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4919.2 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 8
• Space group number: 78
• Hermann-Mauguin space group symbol: P 43
• Hall space group symbol: P 4cw
• Residual factor for all reflections: 0.1032
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for significantly intense reflections: 0.247
• Weighted residual factors for all reflections included in the refinement: 0.2615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No