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Information card for entry 2011447
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| Coordinates | 2011447.cif |
|---|---|
| Structure factors | 2011447.hkl |
| Original IUCr paper | HTML |
| Formula | C12 H24 B2 F8 Na5 O21 Sm |
|---|---|
| Calculated formula | C12 H24 B2 F8 Na5 O21 Sm |
| SMILES | [B](F)(F)(F)[F-].C1C(O[Sm]23456([O]1CC(=O)O4)([O](CC(=O)O2)CC(=O)O6)[O](CC(=O)O3)CC(=O)O5)=O.[Na+].O.[Na+].O.O.[B](F)(F)(F)[F-].O.O.O.[Na+].[Na+].[Na+] |
| Title of publication | Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[<i>M</i>(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (<i>M</i> = Nd, Sm or Gd) |
| Authors of publication | Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 10 |
| Pages of publication | e435 - e436 |
| a | 9.7223 ± 0.0011 Å |
| b | 9.7223 ± 0.0011 Å |
| c | 28.0728 ± 0.0014 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2298 ± 0.4 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 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 | 0.014 |
| Residual factor for significantly intense reflections | 0.014 |
| Weighted residual factors for all reflections included in the refinement | 0.037 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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