Information card for entry 4339431

Structure parameters

• Formula: C61 H69 B3 Cu3 F12 N11 O3 S3
• Calculated formula: C61 H69 B3 Cu3 F12 N11 O3 S3
• Title of publication: Mononuclear and polynuclear copper(I) complexes with a new N,N',S-donor ligand and with structural analogies to the copper thionein core.
• Authors of publication: Gennari, Marcello; Lanfranchi, Maurizio; Cammi, Roberto; Pellinghelli, Maria Angela; Marchiò, Luciano
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 24
• Pages of publication: 10143 - 10152
• a: 12.43 ± 0.009 Å
• b: 20.105 ± 0.009 Å
• c: 14.665 ± 0.008 Å
• α: 90°
• β: 107.1 ± 0.03°
• γ: 90°
• Cell volume: 3503 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No