Information card for entry 7228632

Structure parameters

• Formula: C38 H22 Cl2 Cu2 F4 N6 O12
• Calculated formula: C38 H22 Cl2 Cu2 F4 N6 O12
• Title of publication: Interaction Between Aromatic Rings as Organizing Tools and Semicoordination in Cu(II) Compounds.
• Authors of publication: Valdes-Martinez, Jesus; Martínez-Vargas, Sergio; Dorazco-Gonzalez, Alejandro; Barquera-Lozada, Jose Enrique; Ortega, Simon Hernandez; Toscano, Ruben Alfredo
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 12.7752 ± 0.0008 Å
• b: 24.8336 ± 0.0015 Å
• c: 13.2397 ± 0.0008 Å
• α: 90°
• β: 113.343 ± 0.001°
• γ: 90°
• Cell volume: 3856.5 ± 0.4 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.817
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No