Information card for entry 7210233

Structure parameters

• Common name: catena-(Diaqua-(mu-isophtalato-O,O'')-bis-(N,N,N',N'- tetramethylethylendiamine)-d
• Formula: C20 H36 Cl Cu2 N4 O9
• Calculated formula: C20 H36 Cl Cu2 N4 O9
• 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: 13.4464 ± 0.0009 Å
• b: 15.6975 ± 0.0011 Å
• c: 13.9301 ± 0.001 Å
• α: 90°
• β: 111.165 ± 0.002°
• γ: 90°
• Cell volume: 2742 ± 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: 0.1536
• Residual factor for significantly intense reflections: 0.1102
• Weighted residual factors for significantly intense reflections: 0.1944
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No