Information card for entry 7114647

Structure parameters

• Formula: C44 H32 B2 F16 N8 Zn
• Calculated formula: C44 H32 B2 F16 N8 Zn
• 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: 28.1225 ± 0.0014 Å
• b: 20.6482 ± 0.001 Å
• c: 15.3728 ± 0.0007 Å
• α: 90°
• β: 93.868 ± 0.002°
• γ: 90°
• Cell volume: 8906.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0785
• Residual factor for significantly intense reflections: 0.0526
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No