Information card for entry 7038449

Structure parameters

• Formula: C15 H17 Bi Br N
• Calculated formula: C15 H17 Bi Br N
• SMILES: [Bi]1(Br)(c2c(cccc2)C[N]1(C)C)c1ccccc1
• Title of publication: Mixed triorganobismuthines RAr2Bi [Ar = C6F5, 2,4,6-(C6F5)3C6H2] and hypervalent racemic Bi-chiral diorganobismuth(iii) bromides RArBiBr (Ar = C6F5, Mes, Ph) with the ligand R = 2-(Me2NCH2)C6H4. Influences of the organic substituent.
• Authors of publication: Olaru, Marian; Nema, Mihai G.; Soran, Albert; Breunig, Hans J.; Silvestru, Cristian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 23
• Pages of publication: 9419 - 9428
• a: 13.213 ± 0.002 Å
• b: 11.4688 ± 0.0017 Å
• c: 11.0325 ± 0.0017 Å
• α: 90°
• β: 113.611 ± 0.002°
• γ: 90°
• Cell volume: 1531.9 ± 0.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 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: 0.1044
• Residual factor for significantly intense reflections: 0.0822
• Weighted residual factors for significantly intense reflections: 0.1445
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.223
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No