Information card for entry 4508651

Structure parameters

• Formula: C12 H17 Cu2 N O13
• Calculated formula: C12 H17 Cu2 N O13
• Title of publication: 1D Tube, 2D Layer, and 3D Framework Derived from a New Series of Metal(II)−5-Aminodiacetic Isophthalate Coordination Polymers
• Authors of publication: Xu, Yanqing; Yuan, Daqiang; Wu, Benlai; Han, Lei; Wu, Mingyan; Jiang, Feilong; Hong, Maochun
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 5
• Pages of publication: 1168
• a: 7.1637 ± 0.0005 Å
• b: 10.014 ± 0.003 Å
• c: 12.3475 ± 0.0007 Å
• α: 70.188 ± 0.01°
• β: 88.077 ± 0.015°
• γ: 80.202 ± 0.013°
• Cell volume: 820.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0568
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No