Information card for entry 7201522

Structure parameters

• Formula: C27.6 H26.2 Cu N3 O8
• Calculated formula: C27.6 H26.2 Cu N3 O8
• 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: 7.032 ± 0.001 Å
• b: 12.785 ± 0.002 Å
• c: 14.381 ± 0.002 Å
• α: 86.59 ± 0.01°
• β: 85.08 ± 0.02°
• γ: 84.95 ± 0.01°
• Cell volume: 1281.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0609
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No