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Information card for entry 4071931
Preview
| Coordinates | 4071931.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C72 H96 N8 O4 Sn4 |
|---|---|
| Calculated formula | C72 H96 N8 O4 Sn4 |
| SMILES | [Sn]1(c2ccccc2CN(C)C)(O[Sn](O[Sn](O[Sn](O1)(c1c(CN(C)C)cccc1)c1c(CN(C)C)cccc1)(c1c(CN(C)C)cccc1)c1c(cccc1)CN(C)C)(c1c(CN(C)C)cccc1)c1ccccc1CN(C)C)c1c(CN(C)C)cccc1 |
| Title of publication | Solvent-Controlled Ring Size in Double C,N-Chelated Stannoxanes⊥ |
| Authors of publication | Padělková, Zdeňka; Nechaev, Mikhail S.; Černošek, Zdeněk; Brus, Jiří; Růžička, Aleš |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 20 |
| Pages of publication | 5303 |
| a | 18.4351 ± 0.0002 Å |
| b | 20.4054 ± 0.0002 Å |
| c | 45.0092 ± 0.0006 Å |
| α | 90° |
| β | 100.51 ± 0.03° |
| γ | 90° |
| Cell volume | 16647.3 ± 1.7 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.1914 |
| Residual factor for significantly intense reflections | 0.0769 |
| Weighted residual factors for significantly intense reflections | 0.1403 |
| Weighted residual factors for all reflections included in the refinement | 0.1802 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178608 (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 4/07/19. |
4071931.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4071931.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071931.cif |
| 44131 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071931 via cif-deposit CGI script. |
4071931.cif |
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