Information card for entry 1574615

Structure parameters

• Formula: C138 H97 B4 Cl2 F13 N2 O8 P4 S4
• Calculated formula: C138 H97 B4 Cl2 F13 N2 O8 P4 S4
• Title of publication: Borinine-FLP ring expansion: isolation of eight-membered B–P rings bridged by μ2 chalcogenide and chloronium ions
• Authors of publication: Frey, Nathan C.; Sarkar, Samir Kumar; Dickie, Diane A.; Molino, Andrew; Gilliard, Robert J.
• Journal of publication: Chemical Science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 24
• Pages of publication: 10857 - 10866
• a: 12.9579 ± 0.0004 Å
• b: 14.3772 ± 0.0005 Å
• c: 18.444 ± 0.0007 Å
• α: 74.792 ± 0.001°
• β: 71.244 ± 0.001°
• γ: 63.367 ± 0.001°
• Cell volume: 2879.91 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1344
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No