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Information card for entry 4071934
Preview
| Coordinates | 4071934.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C6 H22 B9 Cl S Si |
|---|---|
| Calculated formula | C6 H21 B9 Cl S Si |
| SMILES | Cl[Si]([C]123[CH]45[BH]67[BH]89[B]%101([S](C)C)[BH]1%112[BH]234[BH]356[BH]478[BH]9%101[BH]%11234)(C)C |
| Title of publication | Silicon(IV) and Germanium(IV) Moieties Stabilized by the Charge-Compensated Carborane Ligand [9-SMe2-7,8-C2B9H10]−: Synthetic and Structural Investigation |
| Authors of publication | Meshcheryakov, Vladimir I.; Zheng, Chong; Kudinov, Alexander R.; Maguire, John A.; Hosmane, Narayan S. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 19 |
| Pages of publication | 5033 |
| a | 8.9214 ± 0.0005 Å |
| b | 14.2968 ± 0.0008 Å |
| c | 13.1606 ± 0.0007 Å |
| α | 90° |
| β | 106.972 ± 0.001° |
| γ | 90° |
| Cell volume | 1605.49 ± 0.15 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0572 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.1821 |
| Weighted residual factors for all reflections included in the refinement | 0.185 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178608 (current) | 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 4/07/19. |
4071934.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071934.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071934.cif |
| 44134 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071934, 4071935 via cif-deposit CGI script. |
4071934.cif |
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Users of the data should acknowledge the original authors of the
structural data.