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Information card for entry 7205654
Preview
| Coordinates | 7205654.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H16 Mg O7 |
|---|---|
| Calculated formula | C8 H16 Mg O7 |
| Title of publication | Stereospecific solid-state cyclodimerization of bis(trans-2-butenoato)calcium and triaquabis(trans-2-butenoato)magnesium |
| Authors of publication | Hickey, Magali B.; Schlam, Roxana F.; Guo, Chengyun; Cho, Tae H.; Snider, Barry B.; Foxman, Bruce M. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 9 |
| Pages of publication | 3146 |
| a | 17.0609 ± 0.001 Å |
| b | 8.1048 ± 0.001 Å |
| c | 9.1311 ± 0.001 Å |
| α | 90° |
| β | 101.23 ± 0.01° |
| γ | 90° |
| Cell volume | 1238.4 ± 0.2 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.1648 |
| Residual factor for significantly intense reflections | 0.0478 |
| Weighted residual factors for all reflections | 0.0855 |
| Weighted residual factors for significantly intense reflections | 0.0351 |
| Weighted residual factors for all reflections included in the refinement | 0.0351 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.1799 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288252 (current) | 2023-12-12 | cif/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data name replacement file from cod-tools revision 9842. This change affected only the misspelt variants of the '_diffrn_measurement_device_type' data name. |
7205654.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7205654.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205654.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205654.cif |
| 20980 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205653, 7205654 via cif-deposit CGI script. |
7205654.cif |
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Users of the data should acknowledge the original authors of the
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