Information card for entry 4349447

Structure parameters

• Formula: C109 H135 Co2 F24 N20 O2.5 P4
• Calculated formula: C106 H126.5 Co2 F24 N20 O2.5 P4
• 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: 14.3893 ± 0.0005 Å
• b: 20.5352 ± 0.0008 Å
• c: 22.0651 ± 0.0007 Å
• α: 95.201 ± 0.002°
• β: 104.364 ± 0.002°
• γ: 99.178 ± 0.002°
• Cell volume: 6177.2 ± 0.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 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: 0.1644
• Residual factor for significantly intense reflections: 0.0952
• Weighted residual factors for significantly intense reflections: 0.2679
• Weighted residual factors for all reflections included in the refinement: 0.3264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No