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Information card for entry 4075418
Preview
| Coordinates | 4075418.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H40 B4 Er O Si2 |
|---|---|
| Calculated formula | C22 H40 B4 Er O Si2 |
| SMILES | [Er]12345678([BH]9%10[C]%11([Si](C)(C)C)[C]%12([Si](C)(C)C)[BH]%13[BH]9[BH]%10%11%12%13)([O]9CCCC9)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81 |
| Title of publication | Chemistry of C-Trimethylsilyl-Substituted Heterocarboranes. 32. Synthetic and Structural Investigations on Half-Sandwich Lanthanacarboranes: Important Synthons in Metallacarborane Chemistry |
| Authors of publication | Wang, Jianhui; Smith, Joanna; Zheng, Chong; Maguire, John A.; Hosmane, Narayan S. |
| Journal of publication | Organometallics |
| Year of publication | 2006 |
| Journal volume | 25 |
| Journal issue | 17 |
| Pages of publication | 4118 |
| a | 8.0829 ± 0.0009 Å |
| b | 23.889 ± 0.003 Å |
| c | 14.8139 ± 0.0015 Å |
| α | 90° |
| β | 102.081 ± 0.002° |
| γ | 90° |
| Cell volume | 2797.1 ± 0.5 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 | 0.0621 |
| Residual factor for significantly intense reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.0961 |
| Weighted residual factors for all reflections included in the refinement | 0.0976 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.386 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178643 (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 4/07/54. |
4075418.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075418.cif |
| 49229 | 2012-03-27 | ../uploads/cif-deposit/cod/cif Adding structures of 4075402, 4075403, 4075404, 4075405, 4075406, 4075407, 4075408, 4075409, 4075410, 4075411, 4075412, 4075413, 4075414, 4075415, 4075416, 4075417, 4075418, 4075419 via cif-deposit CGI script. |
4075418.cif |
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