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Information card for entry 7006944
Preview
| Coordinates | 7006944.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 O3 S3 Si W |
|---|---|
| Calculated formula | C15 H20 O3 S3 Si W |
| SMILES | C1[Si]2(C[S](C)[W](C#[O])(C#[O])(C#[O])([S]1C)[S](C2)C)c1ccccc1 |
| Title of publication | Novel tripod ligands for prickly self-assembled monolayers. |
| Authors of publication | Weidner, Tobias; Krämer, Andreas; Bruhn, Clemens; Zharnikov, Michael; Shaporenko, Andrey; Siemeling, Ulrich; Träger, Frank |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2006 |
| Journal issue | 23 |
| Pages of publication | 2767 - 2777 |
| a | 13.1471 ± 0.0008 Å |
| b | 23.7606 ± 0.0019 Å |
| c | 12.7676 ± 0.0008 Å |
| α | 90° |
| β | 103.895 ± 0.005° |
| γ | 90° |
| Cell volume | 3871.7 ± 0.5 Å3 |
| Cell temperature | 213 ± 2 K |
| Ambient diffraction temperature | 213 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0283 |
| Residual factor for significantly intense reflections | 0.0193 |
| Weighted residual factors for significantly intense reflections | 0.0382 |
| Weighted residual factors for all reflections included in the refinement | 0.0395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.914 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179773 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/69. |
7006944.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006944.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006944.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7006944.cif |
| 1504 | 2010-09-08 | cif/7/ Adding data extracted from RSC 2005 and 2006 year publications. |
7006944.cif |
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Users of the data should acknowledge the original authors of the
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