Information card for entry 7701017

Structure parameters

• Formula: C27 H32 B2 Cl2 F6 N6 O8 S2
• Calculated formula: C27 H32 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: 12.366 ± 0.004 Å
• b: 13.352 ± 0.005 Å
• c: 13.473 ± 0.005 Å
• α: 101.351 ± 0.016°
• β: 108.564 ± 0.015°
• γ: 117.557 ± 0.013°
• Cell volume: 1705.7 ± 1.2 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: 0.0471
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0354
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No