Information card for entry 7029854

Structure parameters

• Formula: C20 H28 B2 Br In N8
• Calculated formula: C20 H28 B2 Br In N8
• SMILES: [In]123(Br)=C4N5C=CN4CCN4C=1N(C=C4)[B](C)(C)N1C=2N(C=C1)CCN1C=3N(C=C1)[B]5(C)C
• Title of publication: Overcoming NHCs neutrality: installing tetracarbenes on group 13 and 14 metals.
• Authors of publication: Cramer, S. Alan; Sturgill, Forrest L.; Chandrachud, Preeti P.; Jenkins, David M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 21
• Pages of publication: 7687 - 7690
• a: 13.476 ± 0.005 Å
• b: 12.338 ± 0.005 Å
• c: 15.419 ± 0.006 Å
• α: 90°
• β: 115.91°
• γ: 90°
• Cell volume: 2306 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.1282
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No