Information card for entry 7213911

Structure parameters

• Formula: C46 H44 Cu2 N8 O11
• Calculated formula: C46 H42 Cu2 N8 O11
• Title of publication: Exploring the structural diversities and magnetic properties of copper(ii) and manganese(ii) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands
• Authors of publication: Chang, Xin-Hong; Qin, Jian-Hua; Han, Min-Le; Ma, Lu-Fang; Wang, Li-Ya
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 870
• a: 9.703 ± 0.002 Å
• b: 9.703 ± 0.002 Å
• c: 13.09 ± 0.003 Å
• α: 80.909 ± 0.002°
• β: 77.613 ± 0.002°
• γ: 62.896 ± 0.002°
• Cell volume: 1068.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0538
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No