Information card for entry 7701015

Structure parameters

• Formula: C20 H16 B Cl10 N3 O4
• Calculated formula: C20 H16 B Cl10 N3 O4
• 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: 15.239 ± 0.003 Å
• b: 11.928 ± 0.002 Å
• c: 16.177 ± 0.003 Å
• α: 90°
• β: 105.52 ± 0.03°
• γ: 90°
• Cell volume: 2833.3 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No