Information card for entry 7123844

Structure parameters

• Formula: C13 H9 Cl2 N3 O2 Zn
• Calculated formula: C13 H9 Cl2 N3 O2 Zn
• 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: 8.5206 ± 0.0004 Å
• b: 8.9361 ± 0.0003 Å
• c: 9.981 ± 0.0003 Å
• α: 94.269 ± 0.003°
• β: 99.231 ± 0.003°
• γ: 94.285 ± 0.003°
• Cell volume: 745.13 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No