Information card for entry 7714944

Structure parameters

• Formula: C70 H70 Co2 F12 N12 O6 P2
• Calculated formula: C70 H70 Co2 F12 N12 O6 P2
• Title of publication: Tuning valence tautomerism in a family of dinuclear cobalt complexes incorporating a conjugated bridging bis(dioxolene) ligand with weak communication.
• Authors of publication: Fischer, Tristan E.; Janetzki, Jett T.; M Zahir, F Zahra; Gable, Robert W.; Starikova, Alyona A.; Boskovic, Colette
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3104 - 3117
• a: 8.6957 ± 0.0002 Å
• b: 10.8984 ± 0.0002 Å
• c: 20.7669 ± 0.0004 Å
• α: 93.436 ± 0.002°
• β: 101.986 ± 0.002°
• γ: 111.088 ± 0.002°
• Cell volume: 1776.57 ± 0.07 ų
• Cell temperature: 99 ± 3 K
• Ambient diffraction temperature: 98.99 ± 0.1 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: 0.0804
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.197
• Weighted residual factors for all reflections included in the refinement: 0.2122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No