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Information card for entry 4511914
Preview
| Coordinates | 4511914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H52 N4 O10 Sn2 |
|---|---|
| Calculated formula | C30 H52 N4 O10 Sn2 |
| SMILES | C(C(O[Sn]1(C(C)(C)C)([OH][Sn](OC(=O)CCN2C(=O)NC(=O)C=C2)([OH]1)(C(C)(C)C)C(C)(C)C)C(C)(C)C)=O)CN1C(=O)NC(=O)C=C1 |
| Title of publication | Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C‒H···O Interactions Leading to Tetrameric Uracil Motifs |
| Authors of publication | Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 10 |
| Pages of publication | 5171 |
| a | 9.1622 ± 0.0007 Å |
| b | 19.9765 ± 0.0016 Å |
| c | 10.0933 ± 0.0009 Å |
| α | 90° |
| β | 93.357 ± 0.002° |
| γ | 90° |
| Cell volume | 1844.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0525 |
| Residual factor for significantly intense reflections | 0.0486 |
| Weighted residual factors for significantly intense reflections | 0.1189 |
| Weighted residual factors for all reflections included in the refinement | 0.1225 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179666 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/19. |
4511914.cif |
| 124635 | 2014-10-06 | cif/ Updating files of 4511914, 4511915, 4511916, 4511917, 4511918 Original log message: Adding full bibliography for 4511914--4511918.cif. |
4511914.cif |
| 123212 | 2014-09-07 | cif/ Adding structures of 4511914, 4511915, 4511916, 4511917, 4511918 via cif-deposit CGI script. |
4511914.cif |
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Users of the data should acknowledge the original authors of the
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