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Information card for entry 2235304
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| Coordinates | 2235304.cif |
|---|---|
| Structure factors | 2235304.hkl |
| Original IUCr paper | HTML |
| Chemical name | 2-[(Propan-2-yloxy)carbonyl]quinolin-1-ium tetrachlorido(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV) |
|---|---|
| Formula | C23 H20 Cl4 N2 O4 Sn |
| Calculated formula | C23 H20 Cl4 N2 O4 Sn |
| SMILES | [Sn]1(Cl)(Cl)(Cl)(Cl)OC(=O)c2[n]1c1c(cc2)cccc1.O(C(=O)c1[nH+]c2c(cc1)cccc2)C(C)C |
| Title of publication | 2-[(Propan-2-yloxy)carbonyl]quinolin-1-ium tetrachlorido(quinoline-2-carboxylato-κ^2^<i>N</i>,<i>O</i>)stannate(IV) |
| Authors of publication | Najafi, Ezzatollah; Amini, Mostafa M.; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m732 |
| a | 7.1932 ± 0.0002 Å |
| b | 17.8616 ± 0.0004 Å |
| c | 19.1963 ± 0.0005 Å |
| α | 90° |
| β | 95.156 ± 0.003° |
| γ | 90° |
| Cell volume | 2456.4 ± 0.11 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0347 |
| Residual factor for significantly intense reflections | 0.0265 |
| Weighted residual factors for significantly intense reflections | 0.0572 |
| Weighted residual factors for all reflections included in the refinement | 0.0622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181275 (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 2/23/53. |
2235304.cif 2235304.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. |
2235304.cif 2235304.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235304.cif 2235304.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. | 2235304.cif 2235304.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235304.cif 2235304.hkl |
| 61990 | 2012-07-05 | cif/ Adding structures of 2235304 via cif-deposit CGI script. |
2235304.cif |
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Users of the data should acknowledge the original authors of the
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