Information card for entry 7035695

Structure parameters

• Formula: C60.66 H85.32 B2 Cl1.32 F12 N6 O8 S4
• Calculated formula: C60.66 H85.32 B2 Cl1.32 F12 N6 O8 S4
• Title of publication: Mono- and di-cationic hydrido boron compounds.
• Authors of publication: Ghadwal, Rajendra S.; Schürmann, Christian J; Andrada, Diego M.; Frenking, Gernot
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 32
• Pages of publication: 14359 - 14367
• a: 12.306 ± 0.002 Å
• b: 12.691 ± 0.002 Å
• c: 13.389 ± 0.002 Å
• α: 95.14 ± 0.02°
• β: 101.53 ± 0.02°
• γ: 118.07 ± 0.02°
• Cell volume: 1766.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2054
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.56086 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No