Information card for entry 4335759

Structure parameters

• Formula: C32.5 H21 Cl F12 N6 Ni O2
• Calculated formula: C32.5 H21 Cl F12 N6 Ni O2
• 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: 9.0789 ± 0.0004 Å
• b: 11.1534 ± 0.0005 Å
• c: 18.2342 ± 0.0008 Å
• α: 99.493 ± 0.001°
• β: 102.121 ± 0.001°
• γ: 105.618 ± 0.001°
• Cell volume: 1689.82 ± 0.13 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for all reflections: 0.1099
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No