Information card for entry 4067798

Structure parameters

• Formula: C28 H24 B N3
• Calculated formula: C28 H24 B N3
• SMILES: n12Bn3c(C(c1c(c1ccccc21)C)c1[nH]c2c(c1C)cccc2)c(c1ccccc31)C
• Title of publication: Planar, Three-Coordinate Boron Monohydrides Ligated by Bis(3-methylindolyl)methanes
• Authors of publication: Song, Bingxu; Kirschbaum, Kristin; Mason, Mark R.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 191
• a: 11.709 ± 0.004 Å
• b: 22.392 ± 0.009 Å
• c: 8.758 ± 0.003 Å
• α: 90°
• β: 110.97 ± 0.007°
• γ: 90°
• Cell volume: 2144.2 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1305
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No