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Information card for entry 4513229
Preview
| Coordinates | 4513229.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H10 F6 Fe P |
|---|---|
| Calculated formula | C10 H10 F6 Fe P |
| Title of publication | Experimental Establishment of Mother‒Daughter Orientation Relationships and Twinning Effects in Phase Transitions: A Great Legacy from Jack Gougoutas and Peggy Etter |
| Authors of publication | Posner, Shai R.; Lorson, Logan C.; Gell, Aaron R.; Foxman, Bruce M. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 7 |
| Pages of publication | 3407 |
| a | 13.3462 ± 0.0011 Å |
| b | 9.4447 ± 0.0008 Å |
| c | 9.4076 ± 0.0008 Å |
| α | 90° |
| β | 92.987 ± 0.002° |
| γ | 90° |
| Cell volume | 1184.22 ± 0.17 Å3 |
| Cell temperature | 240 K |
| Ambient diffraction temperature | 240 K |
| Number of distinct elements | 5 |
| 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 | 0.0546 |
| Residual factor for significantly intense reflections | 0.0366 |
| Weighted residual factors for all reflections | 0.1002 |
| Weighted residual factors for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections included in the refinement | 0.1002 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0257 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4513229.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4513229.cif |
| 140073 | 2015-07-05 | cif/ Updating files of 4513225, 4513226, 4513227, 4513228, 4513229, 4513230, 4513231 Original log message: Adding full bibliography for 4513225--4513231.cif. |
4513229.cif |
| 139332 | 2015-06-19 | cif/ Adding structures of 4513225, 4513226, 4513227, 4513228, 4513229, 4513230, 4513231 via cif-deposit CGI script. |
4513229.cif |
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Users of the data should acknowledge the original authors of the
structural data.