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Information card for entry 2018012
Preview
| Coordinates | 2018012.cif |
|---|---|
| Structure factors | 2018012.hkl |
| Original IUCr paper | HTML |
| Chemical name | poly[μ-hydroxido-μ~7~-(4-phosphonatobenzenesulfonato)-ditin(II)] |
|---|---|
| Formula | C6 H5 O7 P S Sn2 |
| Calculated formula | C6 H5 O7 P S Sn2 |
| SMILES | [Sn+2].[Sn+2].O=S([O-])(=O)c1ccc(P(=O)([O-])[O-])cc1.[OH-] |
| Title of publication | A three-dimensional tin(II) phosphonatobenzenesulfonate with Sn~4~O~12~ clusters |
| Authors of publication | Maniam, Palanikumar; Stock, Norbert |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 3 |
| Pages of publication | m73 - m76 |
| a | 7.0045 ± 0.0014 Å |
| b | 8.487 ± 0.002 Å |
| c | 10.057 ± 0.0017 Å |
| α | 81.1 ± 0.02° |
| β | 86.17 ± 0.02° |
| γ | 75.25 ± 0.03° |
| Cell volume | 571 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0322 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0683 |
| Weighted residual factors for all reflections included in the refinement | 0.0705 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180849 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/80. |
2018012.cif 2018012.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2018012.cif 2018012.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2018012.cif 2018012.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. | 2018012.cif 2018012.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2018012.cif 2018012.hkl |
| 17966 | 2011-04-13 | hkl/: adding the rest of Fobs files for the recent IUCr deposit. | 2018012.cif 2018012.hkl |
| 17486 | 2011-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2018012 via cif-deposit CGI script. |
2018012.cif |
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Users of the data should acknowledge the original authors of the
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