Information card for entry 7716971

Structure parameters

• Formula: C42 H56 B2 Cl12 F8 N4 O6 S2
• Calculated formula: C42 H56 B2 Cl12 F8 N4 O6 S2
• Title of publication: Bis(diiminate)-based boron difluoro complexes: effective synthon for bis(borenium) cations.
• Authors of publication: Parveen, Darakshan; Yadav, Rahul Kumar; Mondal, Bijan; Dallon, Marie; Sarazin, Yann; Roy, Dipak Kumar
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 34
• Pages of publication: 14139 - 14143
• a: 14.1344 ± 0.0016 Å
• b: 11.0335 ± 0.0012 Å
• c: 20.579 ± 0.002 Å
• α: 90°
• β: 109.181 ± 0.004°
• γ: 90°
• Cell volume: 3031.2 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0848
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No