Information card for entry 7038450

Structure parameters

• Formula: C15 H12 Bi Br F5 N
• Calculated formula: C15 H12 Bi Br F5 N
• SMILES: c12c(cccc1)C[N](C)(C)[Bi]2(c1c(c(c(c(c1F)F)F)F)F)Br
• 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: 8.493 ± 0.003 Å
• b: 20.012 ± 0.004 Å
• c: 19.786 ± 0.007 Å
• α: 90°
• β: 94.9 ± 0.04°
• γ: 90°
• Cell volume: 3350.6 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0813
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No