Information card for entry 4333717

Structure parameters

• Formula: C96 H84 Cu4 F12 N14 P6
• Calculated formula: C96 H84 Cu4 F12 N14 P6
• Title of publication: Synthesis of Small Tetranuclear Cu(I) Metallacycles Based on Bridging Pseudohalogenide Ions
• Authors of publication: Volodymyr Vreshch; Brigitte Nohra; Christophe Lescop; Régis Réau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1496 - 1503
• a: 28.698 ± 0.002 Å
• b: 24.479 ± 0.002 Å
• c: 22.742 ± 0.0018 Å
• α: 90°
• β: 133.955 ± 0.003°
• γ: 90°
• Cell volume: 11501 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.2435
• Weighted residual factors for all reflections included in the refinement: 0.2536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No