Information card for entry 7228242

Structure parameters

• Formula: C36 H32 Cl Cu4 N12 O16
• Calculated formula: C36 H28 Cl Cu4 N12 O16
• 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: 29.8816 ± 0.0012 Å
• b: 7.7255 ± 0.0003 Å
• c: 21.4941 ± 0.0009 Å
• α: 90°
• β: 117.245 ± 0.002°
• γ: 90°
• Cell volume: 4411.4 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0431
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No