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Information card for entry 2228996
Preview
| Coordinates | 2228996.cif |
|---|---|
| Structure factors | 2228996.hkl |
| Original IUCr paper | HTML |
| Chemical name | {1-[(2-Oxidonaphthalen-1-yl)methylidene]thiosemicarbazidato- κ^3^<i>N</i>^1^,<i>O</i>,<i>S</i>}diphenyltin(IV) |
|---|---|
| Formula | C24 H19 N3 O S Sn |
| Calculated formula | C24 H19 N3 O S Sn |
| SMILES | [Sn]12([N](N=C(S2)N)=Cc2c(O1)ccc1c2cccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | {1-[(2-Oxidonaphthalen-1-yl)methylidene]thiosemicarbazidato-κ^3^<i>N</i>^1^,<i>O</i>,<i>S</i>}diphenyltin(IV) |
| Authors of publication | Cui, Jichun; Ruan, Hong; Qiao, Yanling; Yin, Handong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m145 |
| a | 10.0228 ± 0.0014 Å |
| b | 10.9676 ± 0.0016 Å |
| c | 19.732 ± 0.003 Å |
| α | 89.88 ± 0.002° |
| β | 88.696 ± 0.002° |
| γ | 85.435 ± 0.001° |
| Cell volume | 2161.6 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0702 |
| Residual factor for significantly intense reflections | 0.0459 |
| Weighted residual factors for significantly intense reflections | 0.1142 |
| Weighted residual factors for all reflections included in the refinement | 0.1332 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181210 (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 2/22/89. |
2228996.cif 2228996.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. |
2228996.cif 2228996.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228996.cif 2228996.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. | 2228996.cif 2228996.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228996.cif 2228996.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2228996.cif 2228996.hkl |
| 12014 | 2011-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2228996 via cif-deposit CGI script. |
2228996.cif |
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Users of the data should acknowledge the original authors of the
structural data.