Information card for entry 7123843

Structure parameters

• Formula: C28 H18 Cu F6 N6 O10 S2
• Calculated formula: C28 H18 Cu F6 N6 O10 S2
• Title of publication: Mechanosynthesis of Sydnone-containing Coordination Complexes
• Authors of publication: Petry, Nicolas; Vanderbeeken, Thibaut; Malher, Astrid; Bringer, Yoan; Retailleau, Pascal; Bantreil, Xavier; Lamaty, Frédéric
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 7.9107 ± 0.0004 Å
• b: 7.9633 ± 0.0004 Å
• c: 13.4394 ± 0.0008 Å
• α: 81.297 ± 0.004°
• β: 82.418 ± 0.005°
• γ: 84.92 ± 0.004°
• Cell volume: 827.52 ± 0.08 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: 0.0671
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No