Information card for entry 4331181

Structure parameters

• Common name: 3
• Formula: C19.5 H42.96 B2 Cl3.04 N P
• Calculated formula: C18 H39.96 B2 Cl0.04 N P
• Title of publication: Donor-Acceptor Complexation and Dehydrogenation Chemistry of Aminoboranes
• Authors of publication: Adam C. Malcolm; Kyle J. Sabourin; Robert McDonald; Michael J. Ferguson; Eric Rivard
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12905 - 12916
• a: 10.913 ± 0.0006 Å
• b: 18.3557 ± 0.001 Å
• c: 13.6997 ± 0.0008 Å
• α: 90°
• β: 110.923 ± 0.001°
• γ: 90°
• Cell volume: 2563.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No