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Information card for entry 1558456
Preview
| Coordinates | 1558456.cif |
|---|---|
| Structure factors | 1558456.hkl |
| Original IUCr paper | HTML |
| Chemical name | [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate |
|---|---|
| Formula | C30 H39 B I3 N2 |
| Calculated formula | C30 H39 B I3 N2 |
| Title of publication | [1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2<i>H</i>-imidazol-2-ylidene]triiodoborane benzene hemisolvate |
| Authors of publication | Schödel, Frauke; Lerner, Hans-Wolfram; Bolte, Michael |
| Journal of publication | IUCrData |
| Year of publication | 2020 |
| Journal volume | 5 |
| Journal issue | 6 |
| Pages of publication | x200863 |
| a | 16.01 ± 0.0014 Å |
| b | 12.5361 ± 0.0011 Å |
| c | 16.3086 ± 0.0018 Å |
| α | 90° |
| β | 90.041 ± 0.008° |
| γ | 90° |
| Cell volume | 3273.2 ± 0.5 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/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1191 |
| Residual factor for significantly intense reflections | 0.0944 |
| Weighted residual factors for significantly intense reflections | 0.2575 |
| Weighted residual factors for all reflections included in the refinement | 0.2669 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 253607 (current) | 2020-07-01 | cif/ hkl/ Adding structures of 1558456 via cif-deposit CGI script. |
1558456.cif 1558456.hkl |
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Users of the data should acknowledge the original authors of the
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