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Information card for entry 7202219
Preview
| Coordinates | 7202219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H51 N24 O18 Pr |
|---|---|
| Calculated formula | C24 H51 N24 O18 Pr |
| SMILES | [Pr]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].c1(cc(ccc1)c1[n-]nnn1)c1[nH]nnn1.c1(cc(ccc1)c1[nH]nnn1)c1[n-]nnn1.c1(cc(ccc1)c1[n-]nnn1)c1[nH]nnn1.O.O.O.O.O.O.O.O.O |
| Title of publication | A new class of 3-D porous framework: [Ln(H2O)n]3+ ions act as pillars between π-stacked and H-bonded sheets of (m-BDTH)− organic anions in [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8) |
| Authors of publication | Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K. |
| Journal of publication | CrystEngComm |
| Year of publication | 2008 |
| Journal volume | 10 |
| Journal issue | 9 |
| Pages of publication | 1117 |
| a | 9.8788 ± 0.0006 Å |
| b | 19.6459 ± 0.0012 Å |
| c | 22.7918 ± 0.0014 Å |
| α | 90° |
| β | 101.545 ± 0.001° |
| γ | 90° |
| Cell volume | 4333.9 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0773 |
| Residual factor for significantly intense reflections | 0.0526 |
| Weighted residual factors for significantly intense reflections | 0.0996 |
| Weighted residual factors for all reflections included in the refinement | 0.1098 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180353 (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 7/20/22. |
7202219.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202219.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202219.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. | 7202219.cif |
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