Information card for entry 7210234

Structure parameters

• Common name: catena-(Diaqua-(mu-5-nitroisophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendia
• Formula: C20 H36 Cl Cu2 N5 O11
• Calculated formula: C20 H36 Cl Cu2 N5 O11
• Title of publication: Directed self-assembly of mono and dinuclear copper(ii) isophthalates into 1D polymeric structures. Design and an unusual cocrystallization
• Authors of publication: Dorazco-González, Alejandro; Martinez-Vargas, Sergio; Hernández-Ortega, Simón; Valdés-Martínez, Jesús
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 30
• Pages of publication: 5961
• a: 13.4288 ± 0.0007 Å
• b: 15.5866 ± 0.0008 Å
• c: 14.6967 ± 0.0008 Å
• α: 90°
• β: 111.897 ± 0.001°
• γ: 90°
• Cell volume: 2854.2 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• 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: 0.0627
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 0.854
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No