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Information card for entry 2230065
Preview
| Coordinates | 2230065.cif |
|---|---|
| Structure factors | 2230065.hkl |
| Original IUCr paper | HTML |
| Chemical name | (Methanol-κ<i>O</i>)(2-methyl-3,5-dinitrobenzoato-κ<i>O</i>)triphenyltin(IV) |
|---|---|
| Formula | C27 H24 N2 O7 Sn |
| Calculated formula | C27 H24 N2 O7 Sn |
| SMILES | [Sn](OC(=O)c1c(c(cc(N(=O)=O)c1)N(=O)=O)C)(c1ccccc1)(c1ccccc1)(c1ccccc1)[OH]C |
| Title of publication | (Methanol-κ<i>O</i>)(2-methyl-3,5-dinitrobenzoato-κ<i>O</i>)triphenyltin(IV) |
| Authors of publication | Danish, Muhammad; Ghafoor, Sabiha; Ahmad, Nazir; Starosta, Wojciech; Leciejewicz, Janusz |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m519 |
| a | 8.0597 ± 0.0016 Å |
| b | 20.094 ± 0.004 Å |
| c | 16.022 ± 0.003 Å |
| α | 90° |
| β | 95.29 ± 0.03° |
| γ | 90° |
| Cell volume | 2583.7 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1099 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.1086 |
| Weighted residual factors for all reflections included in the refinement | 0.1328 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.042 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181222 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/00. |
2230065.cif 2230065.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2230065.cif 2230065.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2230065.cif 2230065.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230065.cif 2230065.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230065.cif 2230065.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230065.cif 2230065.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230065.cif 2230065.hkl |
| 20134 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230065 via cif-deposit CGI script. |
2230065.cif |
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Users of the data should acknowledge the original authors of the
structural data.