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Information card for entry 4112894
Preview
| Coordinates | 4112894.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C98 H88 F12 N8 O24 P4 Pd2 S4 |
|---|---|
| Calculated formula | C98 H88 F12 N8 O24 P4 Pd2 S4 |
| SMILES | c1cc2cc[n]1[Pd]1([P](c3ccccc3)(c3ccccc3)CCC[P]1(c1ccccc1)c1ccccc1)[n]1ccc(COC(=O)c3nc(C(=O)OCc4cc[n](cc4)[Pd]4([n]5ccc(COC(=O)c6nc(C(=O)OC2)ccc6)cc5)[P](CCC[P]4(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)ccc3)cc1.FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-].N(=O)(=O)C.FC(F)(F)S(=O)(=O)[O-].FC(F)(F)S(=O)(=O)[O-].N(=O)(=O)C |
| Title of publication | Self-Assembly of Flexible Supramolecular Metallacyclic Ensembles: Structures and Adsorption Properties of Their Nanoporous Crystalline Frameworks |
| Authors of publication | Biswaroop Chatterjee; Juan C. Noveron; Marino J. E. Resendiz; Jie Liu; Takuya Yamamoto; Daniel Parker; Martin Cinke; Cattien V. Nguyen; Atta M. Arif; Peter J. Stang |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2004 |
| Journal volume | 126 |
| Pages of publication | 10645 - 10656 |
| a | 11.7834 ± 0.0002 Å |
| b | 15.3708 ± 0.0003 Å |
| c | 15.4053 ± 0.0003 Å |
| α | 88.4998 ± 0.0008° |
| β | 81.9321 ± 0.0008° |
| γ | 70.4728 ± 0.0013° |
| Cell volume | 2603.06 ± 0.09 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0945 |
| Residual factor for significantly intense reflections | 0.0615 |
| Weighted residual factors for significantly intense reflections | 0.1384 |
| Weighted residual factors for all reflections included in the refinement | 0.1576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178899 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/28. |
4112894.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4112894.cif |
| 65311 | 2012-09-05 | cif/ Adding structures of 4112894 via cif-deposit CGI script. |
4112894.cif |
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Users of the data should acknowledge the original authors of the
structural data.