Information card for entry 4306518

Structure parameters

• Formula: C36 H54 B N3
• Calculated formula: C36 H54 B N3
• SMILES: B(Nc1c(cccc1C(C)C)C(C)C)(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: 10.744 ± 0.002 Å
• b: 28.035 ± 0.006 Å
• c: 11.875 ± 0.002 Å
• α: 90°
• β: 112.08 ± 0.03°
• γ: 90°
• Cell volume: 3314.5 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No