Information card for entry 7716974

Structure parameters

• Formula: C38 H54 B2 F6 N4 O8 S2
• Calculated formula: C38 H54 B2 F6 N4 O8 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: 8.627 ± 0.003 Å
• b: 15.411 ± 0.005 Å
• c: 16.562 ± 0.005 Å
• α: 90°
• β: 96.019 ± 0.011°
• γ: 90°
• Cell volume: 2189.8 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0984
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No