Information card for entry 7712591

Structure parameters

• Formula: C22 H14 Br2 F6 N2 Ni O2
• Calculated formula: C22 H14 Br2 F6 N2 Ni O2
• Title of publication: Spectroscopy, molecular structure, and electropolymerization of Ni(ii) and Cu(ii) complexes containing a thiophene-appending fluorinated Schiff base ligand
• Authors of publication: Ahumada, Guillermo; Hamon, Paul; Roisnel, Thierry; Dorcet, Vincent; Fuentealba, Mauricio; Hernández, Loreto A.; Carrillo, David; Hamon, Jean-René; Manzur, Carolina
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 13
• Pages of publication: 4224 - 4236
• a: 20.0985 ± 0.0014 Å
• b: 9.6051 ± 0.0006 Å
• c: 11.9138 ± 0.0008 Å
• α: 90°
• β: 100.023 ± 0.002°
• γ: 90°
• Cell volume: 2264.8 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2439
• Weighted residual factors for all reflections included in the refinement: 0.2525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.146
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No