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Information card for entry 4070747
Preview
| Coordinates | 4070747.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Common name | 07202b |
|---|---|
| Formula | C42 H51 B3 Bi Cl2 F3 O6 |
| Calculated formula | C42 H51 B3 Bi Cl2 F3 O6 |
| SMILES | [Bi](Cl)(Cl)(c1cccc(F)c1B1OC(C(O1)(C)C)(C)C)(c1cccc(F)c1B1OC(C(O1)(C)C)(C)C)c1cccc(F)c1B1OC(C(O1)(C)C)(C)C.c1ccccc1 |
| Title of publication | Synthesis, Structure, and Reactivity of Borate Ester Coordinated Organobismuth Compounds |
| Authors of publication | Caires, Christopher C.; Guccione, Samira |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 747 |
| a | 15.027 ± 0.0016 Å |
| b | 24.892 ± 0.003 Å |
| c | 11.7187 ± 0.0012 Å |
| α | 90° |
| β | 93.247 ± 0.002° |
| γ | 90° |
| Cell volume | 4376.4 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0895 |
| Residual factor for significantly intense reflections | 0.0592 |
| Weighted residual factors for significantly intense reflections | 0.1001 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.089 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4070747.cif |
| 178596 | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07. |
4070747.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070747.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070747.cif |
| 42672 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070744, 4070745, 4070746, 4070747, 4070748 via cif-deposit CGI script. |
4070747.cif |
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Users of the data should acknowledge the original authors of the
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