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Information card for entry 7703949
Preview
| Coordinates | 7703949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C64 H96 Mg Na2 O8 |
|---|---|
| Calculated formula | C64 H96 Mg Na2 O8 |
| Title of publication | Structural and metal-halogen exchange reactivity studies of sodium magnesiate biphenolate complexes. |
| Authors of publication | Yeardley, Callum; Kennedy, Alan R.; Gros, Philippe C.; Touchet, Sabrina; Fairley, Michael; McLellan, Ross; Martínez-Martínez, Antonio J; O'Hara, Charles T |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2020 |
| Journal volume | 49 |
| Journal issue | 16 |
| Pages of publication | 5257 - 5263 |
| a | 11.3684 ± 0.0011 Å |
| b | 15.6863 ± 0.0016 Å |
| c | 18.5667 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3311 ± 0.5 Å3 |
| Cell temperature | 156 ± 2 K |
| Ambient diffraction temperature | 156.15 K |
| Number of distinct elements | 5 |
| Space group number | 23 |
| Hermann-Mauguin space group symbol | I 2 2 2 |
| Hall space group symbol | I 2 2 |
| Residual factor for all reflections | 0.0513 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1128 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301878 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure. |
7703949.cif |
| 251615 | 2020-05-05 | cif/ Updating files of 7703949, 7703950, 7703951 Original log message: Adding full bibliography for 7703949--7703951.cif. |
7703949.cif |
| 250035 | 2020-04-04 | cif/ Adding structures of 7703949, 7703950, 7703951 via cif-deposit CGI script. |
7703949.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.