Information card for entry 7201518

Structure parameters

• Formula: C22 H17 Cl Cu F N3 O7
• Calculated formula: C22 H17 Cl Cu F N3 O7
• Title of publication: Controlling the geometry of Cu(ii) tectons to build one-dimensional hydrogen bonded chains
• Authors of publication: Martínez-Vargas, Sergio; Hernández-Ortega, Simón; Toscano, Rubén A.; Salazar-Mendoza, Domingo; Valdés-Martínez, Jesús
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 86
• a: 8.4714 ± 0.0007 Å
• b: 20.2757 ± 0.0017 Å
• c: 13.3148 ± 0.0011 Å
• α: 90°
• β: 100.051 ± 0.002°
• γ: 90°
• Cell volume: 2251.9 ± 0.3 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: 0.1111
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 0.946
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No