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Information card for entry 4325914
Preview
| Coordinates | 4325914.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H73 Cu5 Gd N12 O27 |
|---|---|
| Calculated formula | C46 H52 Cu5 Gd N12 O25 |
| SMILES | [Gd]12345([OH2])([O]6[Cu]78OC9=[N]6[Cu]6([O]4[N]4=C(O6)[C@@H](Cc6ccccc6)[NH2][Cu]64[O]3[N]3=C(O6)[C@@H](Cc4ccccc4)[NH2][Cu]43[O]2[N]2=C(O4)[C@@H](Cc3ccccc3)[NH2][Cu]32[O]1[N]7=C(O3)[C@@H](Cc1ccccc1)[NH2]8)[NH2][C@@H]9Cc1ccccc1)[O]=N(O5)=O.O.O.O.O.O.O=N(=O)[O-].OC.O.O |
| Title of publication | Effects of the Central Lanthanide Ion Crystal Radius on the 15-MCCuII(N)pheHA-5 Structure |
| Authors of publication | Curtis M. Zaleski; Choong-Sun Lim; Annabel D. Cutland-Van Noord; Jeff W. Kampf; Vincent L. Pecoraro |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7707 - 7717 |
| a | 19.2377 ± 0.0014 Å |
| b | 19.2377 ± 0.0014 Å |
| c | 18.325 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6781.9 ± 1.3 Å3 |
| Cell temperature | 118 ± 2 K |
| Ambient diffraction temperature | 118 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 78 |
| Hermann-Mauguin space group symbol | P 43 |
| Hall space group symbol | P 4cw |
| Residual factor for all reflections | 0.0413 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0964 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179362 (current) | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/59. |
4325914.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325914.cif |
| 46950 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325914 via cif-deposit CGI script. |
4325914.cif |
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