Information card for entry 2013886

Structure parameters

• Common name: triethylammonium tetraphenylborate dichloromethane solvate
• Formula: C31 H38 B Cl2 N
• Calculated formula: C31 H38 B Cl2 N
• Title of publication: Triethylammonium tetraphenylborate dichloromethane solvate
• Authors of publication: Janzen, Daron E.; Mann, Kent R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: o198 - o199
• a: 9.9331 ± 0.0017 Å
• b: 18.258 ± 0.003 Å
• c: 15.958 ± 0.003 Å
• α: 90°
• β: 104.168 ± 0.003°
• γ: 90°
• Cell volume: 2806.1 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0932
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1294
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes