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Information card for entry 2225563
Preview
| Coordinates | 2225563.cif |
|---|---|
| Structure factors | 2225563.hkl |
| Original IUCr paper | HTML |
| Chemical name | 8-Hydroxy-2-methylquinolinium tetrachlorido(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)stannate(IV) acetonitrile monosolvate |
|---|---|
| Formula | C21 H19 Cl4 N3 O2 Sn |
| Calculated formula | C21 H19 Cl4 N3 O2 Sn |
| SMILES | [Sn]1(Cl)(Cl)(Cl)(Cl)Oc2cccc3ccc[n]1c23.Oc1cccc2ccc([nH+]c12)C.N#CC |
| Title of publication | 8-Hydroxy-2-methylquinolinium tetrachlorido(quinolin-8-olato-κ^2^<i>N</i>,<i>O</i>)stannate(IV) acetonitrile monosolvate |
| Authors of publication | Vafaee, Marzieh; Mohammadnezhad, Gholamhossein; Amini, Mostafa M.; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 4 |
| Pages of publication | m381 - m382 |
| a | 29.1672 ± 0.0014 Å |
| b | 10.9415 ± 0.0005 Å |
| c | 15.4907 ± 0.0008 Å |
| α | 90° |
| β | 99.9411 ± 0.0006° |
| γ | 90° |
| Cell volume | 4869.4 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.032 |
| Residual factor for significantly intense reflections | 0.023 |
| Weighted residual factors for significantly intense reflections | 0.0564 |
| Weighted residual factors for all reflections included in the refinement | 0.0635 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181176 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/55. |
2225563.cif 2225563.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2225563.cif 2225563.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2225563.cif 2225563.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. | 2225563.cif 2225563.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2225563.cif 2225563.hkl |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2225563.cif 2225563.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2225563.cif 2225563.hkl |
| 1144 | 2010-05-03 | cif/2/ Adding CIFs from Acta-Cryst-E-2010_04/ deposition. |
2225563.cif |
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