Information card for entry 4076529

Structure parameters

• Formula: C19 H29 B Cl N4 Si
• Calculated formula: C19 H29 B Cl N4 Si
• Title of publication: 1,1-Bis(N-methylimidazole)-2-(trimethylsilyl)-1-boracyclohexa-1,4-diene Chloride: A Stable Intermediate or Tangent en Route to 1-(N-Methylimidazole)borabenzene?
• Authors of publication: Cade, Ian A.; Hill, Anthony F.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 5
• Pages of publication: 2112
• a: 35.9186 ± 0.001 Å
• b: 9.753 ± 0.0003 Å
• c: 13.6534 ± 0.0003 Å
• α: 90°
• β: 112.107 ± 0.0016°
• γ: 90°
• Cell volume: 4431.3 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.1958
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8612
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No