Information card for entry 4068236

Structure parameters

• Common name: hawdv07
• Formula: C22 H24 F10 N2 Ni
• Calculated formula: C22 H24 F10 N2 Ni
• SMILES: [Ni]1([n]2ccc(cc2c2[n]1ccc(c2)C(C)(C)C)C(C)(C)C)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
• Title of publication: Linear Bis(perfluoroalkyl) Complexes of Nickel Bipyridine
• Authors of publication: Yamaguchi, Yoshitaka; Ichioka, Hiromi; Klein, Axel; Brennessel, William W.; Vicic, David A.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 4
• Pages of publication: 1477
• a: 13.355 ± 0.003 Å
• b: 9.754 ± 0.002 Å
• c: 17.601 ± 0.004 Å
• α: 90°
• β: 93.361 ± 0.005°
• γ: 90°
• Cell volume: 2288.8 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.113
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1766
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No