Information card for entry 7715614

Structure parameters

• Formula: C30 H30 B2 Co F8 N12 O2
• Calculated formula: C30 H30 B2 Co F8 N12 O2
• Title of publication: Spectroscopic and thermodynamic characterization of a cobalt-verdazyl valence tautomeric system. influence of crystal structure, solvent and counterion.
• Authors of publication: Brook, David J. R.; DaRos, Jeffrey; Ponnekanti, Aamani; Agrestini, Stefano; Pellegrin, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 7536 - 7545
• a: 13.1032 ± 0.0008 Å
• b: 17.2017 ± 0.001 Å
• c: 30.254 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6819.2 ± 0.7 ų
• Cell temperature: 250 ± 0.7 K
• Ambient diffraction temperature: 250 ± 0.7 K
• Number of distinct elements: 7
• Space group number: 70
• Hermann-Mauguin space group symbol: F d d d :2
• Hall space group symbol: -F 2uv 2vw
• Residual factor for all reflections: 0.1363
• Residual factor for significantly intense reflections: 0.0844
• Weighted residual factors for significantly intense reflections: 0.1751
• Weighted residual factors for all reflections included in the refinement: 0.1964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No