Information card for entry 7228631

Structure parameters

• Formula: C44 H32 Cl2 Cu2 N6 O12
• Calculated formula: C44 H32 Cl2 Cu2 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: 24.267 ± 0.003 Å
• b: 16.0881 ± 0.0019 Å
• c: 12.0926 ± 0.0015 Å
• α: 90°
• β: 115.822 ± 0.003°
• γ: 90°
• Cell volume: 4249.7 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1485
• Residual factor for significantly intense reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.1795
• Weighted residual factors for all reflections included in the refinement: 0.2077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No