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Information card for entry 2231342
Preview
| Coordinates | 2231342.cif |
|---|---|
| Structure factors | 2231342.hkl |
| Original IUCr paper | HTML |
| Chemical name | Octabutylbis[μ~2~-4-(diethylamino)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[4- (diethylamino)benzoato-κ<i>O</i>]di-μ~3~-oxido-tetratin(IV) |
|---|---|
| Formula | C76 H128 N4 O10 Sn4 |
| Calculated formula | C76 H128 N4 O10 Sn4 |
| Title of publication | Octabutylbis[μ~2~-4-(diethylamino)benzoato-κ^2^<i>O</i>:<i>O</i>']bis[4-(diethylamino)benzoato-κ<i>O</i>]di-μ~3~-oxido-tetratin(IV) |
| Authors of publication | Win, Yip-Foo; Choong, Chen-Shang; Ha, Sie-Tiong; Yeap, Chin Sing; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 8 |
| Pages of publication | m1018 - m1019 |
| a | 11.7394 ± 0.0001 Å |
| b | 14.4449 ± 0.0001 Å |
| c | 24.3248 ± 0.0003 Å |
| α | 102.374 ± 0.001° |
| β | 90.1 ± 0.001° |
| γ | 92.164 ± 0.001° |
| Cell volume | 4025.96 ± 0.07 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 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 | 0.0425 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.0676 |
| Weighted residual factors for all reflections included in the refinement | 0.0725 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181235 (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 2/23/13. |
2231342.cif 2231342.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. |
2231342.cif 2231342.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231342.cif 2231342.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. | 2231342.cif 2231342.hkl |
| 27511 | 2011-10-06 | hkl/ Committing assigned Fobs data for the recently deposited coordinates from IUCr journals. |
2231342.cif 2231342.hkl |
| 27259 | 2011-09-29 | ../uploads/cif-deposit/cod/cif Adding structures of 2231342 via cif-deposit CGI script. |
2231342.cif |
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Users of the data should acknowledge the original authors of the
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