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Information card for entry 7003573
Preview
| Coordinates | 7003573.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H64 F6 I N3 O6.5 Sr2 |
|---|---|
| Calculated formula | C44 H64 F6 I N3 O6.5 Sr2 |
| Title of publication | Synthesis and structural variations of substituted phenylamide complexes of the heavy alkaline earth metals calcium, strontium and barium |
| Authors of publication | Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 12 |
| Pages of publication | 1574 - 1582 |
| a | 12.8189 ± 0.0009 Å |
| b | 13.062 ± 0.0009 Å |
| c | 17.2294 ± 0.0009 Å |
| α | 73.02 ± 0.004° |
| β | 75.497 ± 0.004° |
| γ | 72.879 ± 0.003° |
| Cell volume | 2593.8 ± 0.3 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1443 |
| Residual factor for significantly intense reflections | 0.0713 |
| Weighted residual factors for significantly intense reflections | 0.1491 |
| Weighted residual factors for all reflections included in the refinement | 0.1803 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7003573.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. |
7003573.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003573.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003573.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003573.cif |
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Users of the data should acknowledge the original authors of the
structural data.