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Information card for entry 2233316
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| Coordinates | 2233316.cif |
|---|---|
| Structure factors | 2233316.hkl |
| Original IUCr paper | HTML |
| Formula | C8 H34 N6 O12 S2 Sn |
|---|---|
| Calculated formula | C8 H34 N6 O12 S2 Sn |
| SMILES | C[Sn]([OH2])([OH2])(C)([OH2])[OH2].CN(C(=[NH2+])N)C.S(=O)(=O)([O-])[O-].CN(C)C(=[NH2+])N.S(=O)(=O)([O-])[O-] |
| Title of publication | Bis(1,1-dimethylguanidinium) tetraaquadimethyltin(IV) bis(sulfate) |
| Authors of publication | Boye, Mouhamadou Sembene; Diasse-Sarr, Aminata; Lebraud, Eric; Guionneau, Philippe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m70 |
| a | 6.683 ± 0.001 Å |
| b | 12.609 ± 0.002 Å |
| c | 13.469 ± 0.002 Å |
| α | 90° |
| β | 99.207 ± 0.01° |
| γ | 90° |
| Cell volume | 1120.4 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0572 |
| Residual factor for significantly intense reflections | 0.0335 |
| Weighted residual factors for significantly intense reflections | 0.0748 |
| Weighted residual factors for all reflections included in the refinement | 0.0844 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181255 (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 2/23/33. |
2233316.cif 2233316.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2233316.cif 2233316.hkl |
| 132410 | 2015-02-25 | cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ | perl -ne 'print $1."\n" if /\b(\d{7})\s*$/' \ | codid2file \ | xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s*? ( \n ; \s*? \n ; | '\'' \s* '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse' |
2233316.cif 2233316.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233316.cif 2233316.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. | 2233316.cif 2233316.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233316.cif 2233316.hkl |
| 32382 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233316 via cif-deposit CGI script. |
2233316.cif |
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Users of the data should acknowledge the original authors of the
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