Information card for entry 4335758

Structure parameters

• Formula: C26 H18 F12 N4 Ni O
• Calculated formula: C26 H18 F12 N4 Ni O
• SMILES: [Ni]12([O]3CCCC3)([n]3ccccc3c3n1c(cc3C(F)(F)F)C(F)(F)F)[n]1ccccc1c1n2c(cc1C(F)(F)F)C(F)(F)F
• 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: 8.9 ± 0.0004 Å
• b: 17.8376 ± 0.0007 Å
• c: 16.4923 ± 0.0006 Å
• α: 90°
• β: 95.928 ± 0.001°
• γ: 90°
• Cell volume: 2604.23 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No