Information card for entry 2225355

Structure parameters

• Chemical name: {<i>N</i>',<i>N</i>''-Bis[2,6-bis(1-methylethyl)phenyl]-<i>N</i>,<i>N</i>-dimethylguanidinato-κ^2^<i>N</i>',<i>N</i>''}dibromidoborane
• Formula: C27 H40 B Br2 N3
• Calculated formula: C27 H40 B Br2 N3
• SMILES: [B]1(Br)(Br)[N](c2c(cccc2C(C)C)C(C)C)=C(N(C)C)N1c1c(cccc1C(C)C)C(C)C
• Title of publication: {<i>N</i>',<i>N</i>''-Bis[2,6-bis(1-methylethyl)phenyl]-<i>N</i>,<i>N</i>-dimethylguanidinato-κ^2^<i>N</i>',<i>N</i>''}dibromidoborane
• Authors of publication: Braunschweig, Holger; Dewhurst, Rian D.; Schwab, Katrin; Wagner, Katharina
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o610
• a: 9.996 ± 0.003 Å
• b: 16.08 ± 0.005 Å
• c: 18.464 ± 0.006 Å
• α: 90°
• β: 93.505 ± 0.005°
• γ: 90°
• Cell volume: 2962.3 ± 1.6 ų
• Cell temperature: 166 ± 2 K
• Ambient diffraction temperature: 166 ± 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: 0.0313
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes