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Information card for entry 7038452
Preview
Coordinates | 7038452.cif |
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Original paper (by DOI) | HTML |
Formula | C18 H23 Bi Br N |
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Calculated formula | C18 H23 Bi Br N |
SMILES | c12c(cccc1)C[N](C)(C)[Bi]2(c1c(cc(cc1C)C)C)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 | 8.898 ± 0.002 Å |
b | 14.817 ± 0.005 Å |
c | 13.896 ± 0.004 Å |
α | 90° |
β | 98.386 ± 0.014° |
γ | 90° |
Cell volume | 1812.5 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0446 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0841 |
Weighted residual factors for all reflections included in the refinement | 0.0882 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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