Information card for entry 1515606

Structure parameters

• Formula: C37 H113 B4 N9 O Si12
• Calculated formula: C37 H113 B4 N9 O Si12
• SMILES: B(NBN([Si](C)(C)C)[Si](C)(C)N([Si](C)(C)C)[Si](C)(C)C)(NBN([Si](C)(C)C)[Si](C)(C)N([Si](C)(C)C)[Si](C)(C)C)NBN([Si](C)(C)C)[Si](C)(C)N([Si](C)(C)C)[Si](C)(C)C.O1CCCC1
• Title of publication: Group 13 BN dehydrocoupling reagents, similar to transition metal catalysts but with unique reactivity
• Authors of publication: Hansmann, Max M.; Melen, Rebecca L.; Wright, Dominic S.
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 1554
• a: 29.3467 ± 0.0005 Å
• b: 29.3467 ± 0.0005 Å
• c: 14.9405 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11143.3 ± 0.4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1667
• Residual factor for significantly intense reflections: 0.1235
• Weighted residual factors for significantly intense reflections: 0.3072
• Weighted residual factors for all reflections included in the refinement: 0.3335
• Goodness-of-fit parameter for all reflections included in the refinement: 2.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No