Information card for entry 7126278

Structure parameters

• Formula: C31 H32 Cl2 Co F6 N12 O2 P
• Calculated formula: C31 H32 Cl2 Co F6 N12 O2 P
• Title of publication: Valence tautomerism in a cobalt-verdazyl coordination compound.
• Authors of publication: Fleming, Connor; Chung, Dorothy; Ponce, Servando; Brook, David J. R.; DaRos, Jeffrey; Das, Raja; Ozarowski, Andrew; Stoian, Sebastian A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 32
• Pages of publication: 4400 - 4403
• a: 11.2862 ± 0.0015 Å
• b: 20.4254 ± 0.0012 Å
• c: 21.7177 ± 0.0012 Å
• α: 90°
• β: 124.766 ± 0.002°
• γ: 90°
• Cell volume: 4112.8 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0605
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1722
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No