Information card for entry 4315442

Structure parameters

• Formula: C14 H42 B20 N2
• Calculated formula: C14 H42 B20 N2
• SMILES: [BH]1234[BH]567[BH]891[BH]1%102[BH]2%113[BH]345[B]45%12%11[BH]%102([BH]2%10%1191[B]1968([BH]734[H]%12)[BH]346[BH]721[BH]123[BH]384[BH]42([BH]%1071[H]%11)[BH]13([BH]968[H]1)[H]4)[H]5.[BH2]1[N](c2cccc3cccc([N+]1(C)C)c23)(C)C
• Title of publication: An Experimental Solution to the "Missing Hydrogens" Question Surrounding the Macropolyhedral 19-Vertex Boron Hydride Monoanion [B19H22]-, a Simplification of Its Synthesis, and Its Use As an Intermediate in the First Example of syn-B18H22 to anti-B18H22 Isomer Conversion
• Authors of publication: Michael G. S. Londesborough; Jonathan Bould; Tomáš Baše; Drahomír Hnyk; Mario Bakardjiev; Josef Holub; Ivana Císařová; John D. Kennedy
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 4092 - 4098
• a: 12.8901 ± 0.0002 Å
• b: 17.7514 ± 0.0003 Å
• c: 11.9971 ± 0.0003 Å
• α: 90°
• β: 91.1981 ± 0.0012°
• γ: 90°
• Cell volume: 2744.54 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0631
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1394
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No