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Information card for entry 2232578
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| Coordinates | 2232578.cif |
|---|---|
| Structure factors | 2232578.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[methyl 3-(propylamino)but-2-enoato]zinc |
|---|---|
| Formula | C16 H28 N2 O4 Zn |
| Calculated formula | C16 H28 N2 O4 Zn |
| SMILES | [Zn]12([O]=C(C=C(N1CCC)C)OC)[O]=C(C=C(N2CCC)C)OC |
| Title of publication | Bis[methyl 3-(propylamino)but-2-enoato]zinc |
| Authors of publication | Onakoya, Olamide O.; Johnson, Keneshia O.; Butcher, Raymond J.; Matthews, Jason S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1692 |
| a | 7.8087 ± 0.0005 Å |
| b | 9.4353 ± 0.0006 Å |
| c | 12.8788 ± 0.0011 Å |
| α | 76.82 ± 0.003° |
| β | 77.381 ± 0.003° |
| γ | 83.413 ± 0.003° |
| Cell volume | 899.46 ± 0.11 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 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 | 0.0312 |
| Residual factor for significantly intense reflections | 0.0268 |
| Weighted residual factors for significantly intense reflections | 0.0673 |
| Weighted residual factors for all reflections included in the refinement | 0.0702 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181247 (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 2/23/25. |
2232578.cif 2232578.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. |
2232578.cif 2232578.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232578.cif 2232578.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. | 2232578.cif 2232578.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232578.cif 2232578.hkl |
| 31451 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232578 via cif-deposit CGI script. |
2232578.cif |
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Users of the data should acknowledge the original authors of the
structural data.