Information card for entry 7228244

Structure parameters

• Formula: C22 H16 N14 Ni S2
• Calculated formula: C22 H16 N14 Ni S2
• 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: 7.409 ± 0.002 Å
• b: 16.144 ± 0.005 Å
• c: 10.837 ± 0.003 Å
• α: 90°
• β: 107.531 ± 0.009°
• γ: 90°
• Cell volume: 1236 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.066
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No