Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4075419
Preview
| Coordinates | 4075419.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H46 B4 Gd O2 Si2 |
|---|---|
| Calculated formula | C24 H46 B4 Gd O2 Si2 |
| SMILES | [Gd]12345678([BH]9%10[BH]%11[C]%12([Si](C)(C)C)[C]%13([Si](C)(C)C)[BH]19[BH]%10%11%12%13)([CH]1=[CH]2[CH]3=[CH]4[CH]5=[CH]6[CH]7=[CH]81)([O]1CCCC1)[O]1CCCC1 |
| 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 | 8.4527 ± 0.0019 Å |
| b | 10.699 ± 0.002 Å |
| c | 17.467 ± 0.004 Å |
| α | 80.29 ± 0.003° |
| β | 77.221 ± 0.004° |
| γ | 87.107 ± 0.004° |
| Cell volume | 1518.3 ± 0.6 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0589 |
| Weighted residual factors for significantly intense reflections | 0.1171 |
| Weighted residual factors for all reflections included in the refinement | 0.1175 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.536 |
| 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. |
4075419.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4075419.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. |
4075419.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.