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Information card for entry 7201036
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| Coordinates | 7201036.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Pentasodium tris(2,2?-oxydiacetato)-erbium(iii) bis(tetrafluoroborate) hexahydrate |
|---|---|
| Chemical name | Pentasodium tris(2,2?-oxydiacetato)-erbium(III) bis(tetrafluoroborate) hexahydrate |
| Formula | C12 H24 B2 Er F8 Na5 O21 |
| Calculated formula | C12 H12 B2 Er F8 Na5 O21 |
| SMILES | [B](F)(F)(F)[F-].C1(=O)C[O]2[Er]3456(O1)([O](CC(=O)O3)CC(=O)O6)([O](CC(O4)=O)CC(=O)O5)OC(=O)C2.O.[Na+].[Na+].[Na+].O.O.[B](F)(F)(F)[F-].O.[Na+].O.[Na+].O |
| Title of publication | Total spontaneous resolution of nine-coordinate complexes |
| Authors of publication | Lennartson, Anders; Håkansson, Mikael |
| Journal of publication | CrystEngComm |
| Year of publication | 2009 |
| Journal volume | 11 |
| Journal issue | 9 |
| Pages of publication | 1979 |
| a | 9.6578 ± 0.0015 Å |
| b | 9.6578 ± 0.0015 Å |
| c | 27.923 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2255.5 ± 0.6 Å3 |
| Cell temperature | 289 ± 2 K |
| Ambient diffraction temperature | 289 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 155 |
| Hermann-Mauguin space group symbol | R 3 2 :H |
| Hall space group symbol | R 3 2" |
| Residual factor for all reflections | 0.0163 |
| Residual factor for significantly intense reflections | 0.0149 |
| Weighted residual factors for significantly intense reflections | 0.0403 |
| Weighted residual factors for all reflections included in the refinement | 0.0691 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.428 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180341 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/10. |
7201036.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7201036.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7201036.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
7201036.cif |
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