Information card for entry 4335760

Structure parameters

• Formula: C44 H22 F24 N8 Ni2 O
• Calculated formula: C44 H22 F24 N8 Ni2 O
• Title of publication: Synthesis and Oxidative Reactivity of 2,2'-Pyridylpyrrolide Complexes of Ni(II)
• Authors of publication: Nikolay P. Tsvetkov; Chun-Hsing Chen; José G. Andino; Richard L. Lord; Maren Pink; René W. Buell; Kenneth G. Caulton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 9511 - 9521
• a: 11.1698 ± 0.0008 Å
• b: 21.7745 ± 0.0016 Å
• c: 19.0954 ± 0.0014 Å
• α: 90°
• β: 91.473 ± 0.001°
• γ: 90°
• Cell volume: 4642.8 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• 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: 0.1015
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections: 0.1974
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.1974
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9567
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No