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Information card for entry 7042111
Preview
Coordinates | 7042111.cif |
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Original paper (by DOI) | HTML |
Formula | C17 H19 Bi I N O |
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Calculated formula | C17 H19 Bi I N O |
SMILES | [Bi]12(c3c(cccc3)C[N]2(Cc2c1cccc2)CCOC)I |
Title of publication | Bismuthπ arene versus bismuthhalide coordination in heterocyclic diorganobismuth(iii) compounds with transannular N→Bi interaction. |
Authors of publication | Toma, Ana Maria; Pop, Alexandra; Silvestru, Anca; Rüffer, Tobias; Lang, Heinrich; Mehring, Michael |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 12 |
Pages of publication | 3953 - 3962 |
a | 14.942 ± 0.002 Å |
b | 13.8911 ± 0.0019 Å |
c | 17.153 ± 0.002 Å |
α | 90° |
β | 98.306 ± 0.002° |
γ | 90° |
Cell volume | 3522.9 ± 0.8 Å3 |
Cell temperature | 297 ± 2 K |
Ambient diffraction temperature | 297 ± 2 K |
Number of distinct elements | 6 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0937 |
Residual factor for significantly intense reflections | 0.0631 |
Weighted residual factors for significantly intense reflections | 0.132 |
Weighted residual factors for all reflections included in the refinement | 0.1444 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.981 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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