Information card for entry 4306517

Structure parameters

• Formula: C24 H36 B Br N2
• Calculated formula: C24 H36 B Br N2
• SMILES: BrB(Nc1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C
• Title of publication: Boraguanidinates: Synthesis, X-ray Structures, and Reactions of {Li2[iPr2NB(NDipp)2]}2 with p-Block and Group 12 Element Halides
• Authors of publication: Andrea M. Corrente; Tristram Chivers
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10073 - 10080
• a: 19.626 ± 0.004 Å
• b: 6.4262 ± 0.0013 Å
• c: 20.311 ± 0.004 Å
• α: 90°
• β: 103.98 ± 0.03°
• γ: 90°
• Cell volume: 2485.8 ± 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: 0.1596
• Residual factor for significantly intense reflections: 0.0643
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No