Information card for entry 4333715

Structure parameters

• Formula: C98 H84 Cl0 Cu4 F12 N10 O0 P6
• Calculated formula: C98 H84 Cu4 F12 N10 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: 13.325 ± 0.0006 Å
• b: 20.615 ± 0.0011 Å
• c: 18.486 ± 0.0009 Å
• α: 90°
• β: 100.491 ± 0.002°
• γ: 90°
• Cell volume: 4993.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No