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Information card for entry 7023989
Preview
| Coordinates | 7023989.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60.5 H69 Cl N4 O4 Si2 Sn2 |
|---|---|
| Calculated formula | C60 H68 N4 O4 Si2 Sn2 |
| SMILES | [Sn]1(O[Si](O[Sn](O[Si](O1)(c1ccccc1)c1ccccc1)(c1c(cccc1CN(C)C)CN(C)C)c1ccccc1)(c1ccccc1)c1ccccc1)(c1c(cccc1CN(C)C)CN(C)C)c1ccccc1 |
| Title of publication | Straightforward synthesis of novel cyclic metallasiloxanes supported by an N,C,N-chelating ligand. |
| Authors of publication | Fridrichová, Adéla; Mairychová, Barbora; Padělková, Zdeňka; Lyčka, Antonín; Jurkschat, Klaus; Jambor, Roman; Dostál, Libor |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 46 |
| Pages of publication | 16403 - 16411 |
| a | 17.5356 ± 0.0003 Å |
| b | 16.2802 ± 0.0003 Å |
| c | 21.3586 ± 0.0004 Å |
| α | 90° |
| β | 100.403 ± 0.002° |
| γ | 90° |
| Cell volume | 5997.29 ± 0.19 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0323 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0577 |
| Weighted residual factors for all reflections included in the refinement | 0.0587 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.928 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7023989.cif |
| 132627 | 2015-03-03 | cif/ (antanas@koala.ibt.lt) Removing unrecognised tags from CIFs in range 4/ and range 7/. |
7023989.cif |
| 91611 | 2013-12-13 | cif/ Adding structures of 7023984, 7023985, 7023986, 7023987, 7023988, 7023989 via cif-deposit CGI script. |
7023989.cif |
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Users of the data should acknowledge the original authors of the
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