Information card for entry 7038453

Structure parameters

• Formula: C57 H14 Bi F30 N
• Calculated formula: C57 H14 Bi F30 N
• SMILES: c1(c(cccc1)CN(C)C)[Bi](c1c(cc(cc1c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(cc(cc1c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• 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: 11.304 ± 0.002 Å
• b: 11.753 ± 0.002 Å
• c: 20.37 ± 0.004 Å
• α: 85.226 ± 0.004°
• β: 75.497 ± 0.005°
• γ: 86.735 ± 0.004°
• Cell volume: 2609.1 ± 0.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1385
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2231
• Weighted residual factors for all reflections included in the refinement: 0.256
• 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