Information card for entry 7114646

Structure parameters

• Formula: C33.25 H33.47 B Co F2 N4 O0.81
• Calculated formula: C33.243 H33.486 B Co F2 N4 O0.81
• Title of publication: Synthesis and ligand-based reduction chemistry of boron difluoride complexes with redox-active formazanate ligands
• Authors of publication: M.C. Chang; E. Otten
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 7431
• a: 12.2031 ± 0.0007 Å
• b: 17.4363 ± 0.0009 Å
• c: 14.4788 ± 0.0007 Å
• α: 90°
• β: 97.446 ± 0.002°
• γ: 90°
• Cell volume: 3054.8 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• 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: 0.054
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.136
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No