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Information card for entry 2235077
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| Coordinates | 2235077.cif |
|---|---|
| Structure factors | 2235077.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>N</i>-(2,6-Diisopropylphenyl)-<i>N</i>-{3-[(2,6-diisopropylphenyl)imino] butan-2-yl}azanide trichloridostannate(II) |
|---|---|
| Formula | C28 H43 Cl3 N2 Sn |
| Calculated formula | C28 H43 Cl3 N2 Sn |
| SMILES | N(=C(C)\C([NH2+]c1c(cccc1C(C)C)C(C)C)C)/c1c(cccc1C(C)C)C(C)C.[Sn](Cl)(Cl)[Cl-] |
| Title of publication | <i>N</i>-(2,6-Diisopropylphenyl)-<i>N</i>-{3-[(2,6-diisopropylphenyl)imino]butan-2-yl}azanide trichloridostannate(II) |
| Authors of publication | Ma, Xiaoli; Sun, Shuai; Hao, Pengfei; Yang, Ying; Yang, Zhi |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m719 - m720 |
| a | 13.373 ± 0.003 Å |
| b | 13.383 ± 0.003 Å |
| c | 18.303 ± 0.004 Å |
| α | 89.31 ± 0.03° |
| β | 88.73 ± 0.03° |
| γ | 73.67 ± 0.03° |
| Cell volume | 3142.7 ± 1.3 Å3 |
| Cell temperature | 153 ± 2 K |
| Ambient diffraction temperature | 153 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0538 |
| Residual factor for significantly intense reflections | 0.0387 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181272 (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 2/23/50. |
2235077.cif 2235077.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. |
2235077.cif 2235077.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235077.cif 2235077.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. | 2235077.cif 2235077.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235077.cif 2235077.hkl |
| 61725 | 2012-07-05 | cif/ Adding structures of 2235077 via cif-deposit CGI script. |
2235077.cif |
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Users of the data should acknowledge the original authors of the
structural data.