Information card for entry 1546448

Structure parameters

• Formula: C14 H19 B N4 Sn
• Calculated formula: C14 H19 B N4 Sn
• SMILES: C1(=[B](C#N)(C#N)[Sn](C)(C)C)N(c2ccccc2N1C)C
• Title of publication: Completing the series of boron-nucleophilic cyanoborates: Boryl anions of type (NHC)−B(CN)2−
• Authors of publication: Böser, Richard; Haufe, Lisa Cathrin; Freytag, Matthias; Jones, P. G.; Hörner, Gerald; René, Frank
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 11.0134 ± 0.0001 Å
• b: 21.1517 ± 0.0002 Å
• c: 13.8999 ± 0.0001 Å
• α: 90°
• β: 90.555 ± 0.001°
• γ: 90°
• Cell volume: 3237.86 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0342
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.052
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No