Information card for entry 4332744

Structure parameters

• Formula: C18.15 H27.46 B Cl0.85 N O2.15
• Calculated formula: C18.155 H27.465 B Cl0.845 N O2.155
• Title of publication: Mononuclear Schiff Base Boron Halides: Synthesis, Characterization, and Dealkylation of Trimethyl Phosphate
• Authors of publication: Mitra, Amitabha; DePue, Lauren J.; Struss, Jeffrey E.; Patel, Bijal P.; Parkin, Sean; Atwood, David A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9213 - 9224
• a: 11.6315 ± 0.0001 Å
• b: 11.825 ± 0.0001 Å
• c: 16.5808 ± 0.0002 Å
• α: 100.113 ± 0.0004°
• β: 102.162 ± 0.0005°
• γ: 115.911 ± 0.0005°
• Cell volume: 1910.1 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No