Information card for entry 7111302

Structure parameters

• Formula: C26 H36 Ba Cu2 N4 O13
• Calculated formula: C26 H36 Ba Cu2 N4 O13
• Title of publication: A novel molecular ladder structure of Cu(ii)?Ba(ii) coordination polymer exhibiting ferromagnetic coupling
• Authors of publication: Zou, Yang; Liu, Wenlong; Gao, Song; Xie, Jingli; Meng, Qingjin
• Journal of publication: Chemical Communications
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 2946
• a: 8.2483 ± 0.0013 Å
• b: 9.7341 ± 0.0016 Å
• c: 20.871 ± 0.003 Å
• α: 77.325 ± 0.003°
• β: 81.574 ± 0.003°
• γ: 81.341 ± 0.003°
• Cell volume: 1605 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0834
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No