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Information card for entry 4109845
Preview
| Coordinates | 4109845.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H88 Cl10 N20 Ni U2 |
|---|---|
| Calculated formula | C54 H88 Cl10 N20 Ni U2 |
| SMILES | c1(cc(C)[n]2n1[U]1342([n]2c(cc([n]12)C)C)([n]1[n]3c(cc1C)C)(n1[n]4c(cc1C)C)[Cl][Ni]123([NH]4CCC[NH]1CC[NH]2CCC[NH]3CC4)[Cl][U]1234(n5c(cc(C)[n]15)C)([n]1c(cc([n]21)C)C)([n]1[n]3c(cc1C)C)n1[n]4c(cc1C)C)C.C(Cl)Cl.ClCCl.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Magnetic Exchange Coupling in Chloride-Bridged 5f-3d Heterometallic Complexes Generated via Insertion into a Uranium(IV) Dimethylpyrazolate Dimer |
| Authors of publication | Stosh A. Kozimor; Bart M. Bartlett; Jeffrey D. Rinehart; Jeffrey R. Long |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 10672 - 10674 |
| a | 11.486 ± 0.002 Å |
| b | 12.158 ± 0.002 Å |
| c | 14.894 ± 0.003 Å |
| α | 72.521 ± 0.002° |
| β | 76.769 ± 0.003° |
| γ | 73.953 ± 0.002° |
| Cell volume | 1882.3 ± 0.6 Å3 |
| Cell temperature | 143 ± 2 K |
| Ambient diffraction temperature | 143 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.057 |
| Residual factor for significantly intense reflections | 0.0479 |
| Weighted residual factors for significantly intense reflections | 0.1343 |
| Weighted residual factors for all reflections included in the refinement | 0.1444 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178844 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/98. |
4109845.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109845.cif |
| 58623 | 2012-05-29 | cif/ Adding structures of 4109845 via cif-deposit CGI script. |
4109845.cif |
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Users of the data should acknowledge the original authors of the
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