Information card for entry 7714946

Structure parameters

• Formula: C57.8 H57.6 Cl3.6 Co2 F12 N10 O6 P2
• Calculated formula: C56 H54 Co2 F12 N10 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: 10.813 ± 0.002 Å
• b: 13.371 ± 0.003 Å
• c: 22.478 ± 0.005 Å
• α: 90°
• β: 103.68 ± 0.03°
• γ: 90°
• Cell volume: 3157.7 ± 1.2 ų
• Cell temperature: 100 ± 0.2 K
• Ambient diffraction temperature: 100 ± 0.2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1418
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.2356
• Weighted residual factors for all reflections included in the refinement: 0.2776
• Goodness-of-fit parameter for all reflections included in the refinement: 0.917
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No