Information card for entry 7228246

Structure parameters

• Formula: C42 H26 Cu5 N6 O18
• Calculated formula: C42 H26 Cu5 N6 O18
• Title of publication: A series of new mixed-ligand complexes based on 3,6-bis(imidazol-1-yl)pyridazine: syntheses, structures, and catalytic activities
• Authors of publication: Zhou, Sheng-Bin; Wang, Xin-Fang; Du, Ceng-Ceng; Wang, Duo-Zhi; Jia, Dianzeng
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 7.6597 ± 0.0011 Å
• b: 11.198 ± 0.0016 Å
• c: 13.3076 ± 0.0018 Å
• α: 110.824 ± 0.004°
• β: 95.302 ± 0.004°
• γ: 104.344 ± 0.004°
• Cell volume: 1012.9 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0547
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No