Information card for entry 7000224

Structure parameters

• Formula: C18 H29 Bi Br2 N4
• Calculated formula: C18 H29 Bi Br2 N4
• SMILES: [Bi]12(Br)(Br)c3c(cccc3C[N]32CCN(CC3)C)C[N]21CCN(CC2)C
• Title of publication: Monoorganobismuth(iii) dihalides containing the new pincer 2,6-{MeN(CH2CH2)2NCH2}2C6H3 ligand: solution NMR, vibrational and single-crystal X-ray studies
• Authors of publication: Soran, Albert; Breunig, Hans J.; Lippolis, Vito; Arca, Massimiliano; Silvestru, Cristian
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 1
• Pages of publication: 77 - 84
• a: 8.5566 ± 0.0007 Å
• b: 14.8965 ± 0.0012 Å
• c: 17.7934 ± 0.0014 Å
• α: 90°
• β: 102.255 ± 0.001°
• γ: 90°
• Cell volume: 2216.3 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No