Information card for entry 7701014

Structure parameters

• Formula: C31 H34 B2 Cl2 F6 N6 O8 S2
• Calculated formula: C31 H34 B2 Cl2 F6 N6 O8 S2
• Title of publication: Electron transfer in complexes of B^II cations with organic π-acceptors: a combined experimental and quantum-chemical study.
• Authors of publication: Vogler, Daniel; Wolf, Nina; Kaifer, Elisabeth; Himmel, Hans-Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 38
• Pages of publication: 14354 - 14366
• a: 11.882 ± 0.002 Å
• b: 12.192 ± 0.002 Å
• c: 14.297 ± 0.003 Å
• α: 83.12 ± 0.03°
• β: 77.39 ± 0.03°
• γ: 75.38 ± 0.03°
• Cell volume: 1951.1 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0807
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.173
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No