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Information card for entry 4504568
Preview
| Coordinates | 4504568.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H108 O18 Sn6 |
|---|---|
| Calculated formula | C78 H108 O18 Sn6 |
| SMILES | C([Sn]1234OC(=[O][Sn]567([O]1[Sn]18(CCCC)(OC(=[O]2)c2c(cccc2C)C)[O]=C(O[Sn]29(CCCC)([O]=C(O[Sn]%10%11(CCCC)([O]=C(O[Sn](CCCC)([O]=C(O7)c7c(cccc7C)C)([O]5%11)([O]2%10)[O]46)c2c(cccc2C)C)[O]89)c2c(cccc2C)C)[O]31)c1c(cccc1C)C)CCCC)c1c(C)cccc1C)CCC |
| Title of publication | Influence of Aromatic Substituents on the Supramolecular Architectures of Monoorganooxotin Drums |
| Authors of publication | Chandrasekhar, Vadapalli; Gopal, Kandasamy; Nagendran, Selvarajan; Steiner, Alexander; Zacchini, Stefano |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 1 |
| Pages of publication | 267 |
| a | 12.79 ± 0.005 Å |
| b | 12.802 ± 0.005 Å |
| c | 14.324 ± 0.006 Å |
| α | 110.687 ± 0.007° |
| β | 111.86 ± 0.006° |
| γ | 97.688 ± 0.007° |
| Cell volume | 1939 ± 1.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0523 |
| Residual factor for significantly intense reflections | 0.0446 |
| Weighted residual factors for significantly intense reflections | 0.1093 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179580 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/45. |
4504568.cif |
| 120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4504568.cif |
| 47423 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4504568, 4504569, 4504570, 4504571 via cif-deposit CGI script. |
4504568.cif |
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Users of the data should acknowledge the original authors of the
structural data.