Information card for entry 4350110

Structure parameters

• Formula: C52 H48 B2 Cl12 Cu2 N24 S6
• Calculated formula: C52 H48 B2 Cl12 Cu2 N24 S6
• Title of publication: Synthesis, structure, and electrochemical properties of copper(I) complexes with S/N homoscorpionate and heteroscorpionate ligands.
• Authors of publication: Cammi, Roberto; Gennari, Marcello; Giannetto, Marco; Lanfranchi, Maurizio; Marchio, Luciano; Mori, Giovanni; Paiola, Cristiano; Pellinghelli, Maria Angela
• Journal of publication: Inorganic chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4333 - 4345
• a: 12.542 ± 0.001 Å
• b: 13.07 ± 0.001 Å
• c: 14.215 ± 0.001 Å
• α: 92.892 ± 0.002°
• β: 115.559 ± 0.001°
• γ: 105.716 ± 0.001°
• Cell volume: 1985.7 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No