Information card for entry 7228243

Structure parameters

• Formula: C18 H14.5 N6 Ni O5.25
• Calculated formula: C18 H14.5 N6 Ni O5.25
• 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: 8.4549 ± 0.0003 Å
• b: 9.6723 ± 0.0004 Å
• c: 12.4874 ± 0.0006 Å
• α: 111.413 ± 0.001°
• β: 90.101 ± 0.001°
• γ: 101.508 ± 0.001°
• Cell volume: 928.48 ± 0.07 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: 0.0623
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1393
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No