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Information card for entry 4068629
Preview
| Coordinates | 4068629.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C50 H77 O21 Re2 Si8 |
|---|---|
| Calculated formula | C50 H77 O21 Re2 Si8 |
| SMILES | C(#[O])[Re](C#[O])(C#[O])(C#[O])[O]([Re](C#[O])(C#[O])(C#[O])C#[O])[Si]12O[Si]3(C4CCCCC4)O[Si]4(C5CCCCC5)O[Si](C5CCCCC5)(O2)O[Si]2(C5CCCCC5)O[Si](C5CCCCC5)(O1)O[Si](C1CCCCC1)(O3)O[Si](C1CCCCC1)(O4)O2 |
| Title of publication | Synthesis, Spectroscopic, and X-ray Characterization of Rhenium Carbonyl Complexes with Different Silsesquioxanes, as Models That Mimic the Chemical Behavior and the Topology of the Silica Surface |
| Authors of publication | Dragonetti, Claudia; Carlucci, Lucia; D'Alfonso, Giuseppe; Lucenti, Elena; Macchi, Piero; Roberto, Dominique; Sironi, Angelo; Ugo, Renato |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 9 |
| Pages of publication | 2668 - 2676 |
| a | 16.628 ± 0.005 Å |
| b | 21.022 ± 0.005 Å |
| c | 21.85 ± 0.005 Å |
| α | 111.662 ± 0.005° |
| β | 99.928 ± 0.005° |
| γ | 96.807 ± 0.005° |
| Cell volume | 6852 ± 3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0891 |
| Residual factor for significantly intense reflections | 0.0548 |
| Weighted residual factors for significantly intense reflections | 0.1497 |
| Weighted residual factors for all reflections included in the refinement | 0.1841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209820 (current) | 2018-08-16 | cif/4/ Updating bibliography in entries 4068629-4068630, 4082275. Marking entry 4082275 as a duplicate of entry 4068629. |
4068629.cif |
| 178576 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/86. |
4068629.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4068629.cif |
| 89807 | 2013-11-12 | smi/4 Adding SMILES of metal carbonyls. |
4068629.cif |
| 39900 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4068629 via cif-deposit CGI script. |
4068629.cif |
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