Information card for entry 4349442

Structure parameters

• Formula: C30 H22 Co F12 N6 P2
• Calculated formula: C30 H22 Co F12 N6 P2
• Title of publication: Synthesis, Characterization, and DFT Analysis of Bis-Terpyridyl-Based Molecular Cobalt Complexes.
• Authors of publication: Aroua, Safwan; Todorova, Tanya K.; Hommes, Paul; Chamoreau, Lise-Marie; Reissig, Hans-Ulrich; Mougel, Victor; Fontecave, Marc
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 5930 - 5940
• a: 8.7844 ± 0.0004 Å
• b: 8.7844 ± 0.0004 Å
• c: 20.285 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1565.31 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 21 1 1
• Hall space group symbol: P 2xa
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No