Information card for entry 7708598

Structure parameters

• Chemical name: diazido-tetrakis(1-methylimidazole)nickel(II)
• Formula: C16 H24 N14 Ni
• Calculated formula: C16 H24 N14 Ni
• Title of publication: A novel 'main-part' isostructuralism in metal complexes with 1-methylimidazole: crystal structures, energy calculations and magnetic properties
• Authors of publication: Perez, Hiram; Di Santo, Alejandro; Piro, Oscar E.; Echeverría, Gustavo A.; González M., Marlene; Ben Altabef, Aida; Gomila, Rosa Maria; Frontera, Antonio; Gil, Diego M.
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 6.9174 ± 0.0005 Å
• b: 9.0586 ± 0.0007 Å
• c: 9.2754 ± 0.0008 Å
• α: 76.786 ± 0.007°
• β: 75.45 ± 0.007°
• γ: 80.212 ± 0.006°
• Cell volume: 543.76 ± 0.08 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No