Information card for entry 4339432

Structure parameters

• Formula: C37 H36 B Cu F4 N3 O P S
• Calculated formula: C37 H36 B Cu F3.96 N3 O P S
• 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: 10.431 ± 0.001 Å
• b: 12.378 ± 0.001 Å
• c: 15.213 ± 0.002 Å
• α: 78.13 ± 0.01°
• β: 78.95 ± 0.01°
• γ: 70.41 ± 0.01°
• Cell volume: 1794.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No