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Information card for entry 4305276
Preview
| Coordinates | 4305276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H41 F6 N3 P Sm |
|---|---|
| Calculated formula | C35 H41 F6 N3 P Sm |
| SMILES | [Sm]123456789%10([n]%11ccccc%11c%11[n]1c(ccc%11)c1[n]2cccc1)([c]1([c]%10([c]3([c]4([c]51C)C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Direct Comparison of the Magnetic and Electronic Properties of Samarocene and Ytterbocene Terpyridine Complexes |
| Authors of publication | Jacqueline M. Veauthier; Eric J. Schelter; Christin N. Carlson; Brian L. Scott; Ryan E. Da Re; J. D. Thompson; Jaqueline L. Kiplinger; David E. Morris; Kevin D. John |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 5841 - 5849 |
| a | 11.3542 ± 0.0006 Å |
| b | 15.1149 ± 0.0008 Å |
| c | 19.0997 ± 0.001 Å |
| α | 90° |
| β | 95.867 ± 0.001° |
| γ | 90° |
| Cell volume | 3260.7 ± 0.3 Å3 |
| Cell temperature | 141 ± 2 K |
| Ambient diffraction temperature | 141 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0464 |
| Residual factor for significantly intense reflections | 0.0345 |
| Weighted residual factors for significantly intense reflections | 0.0894 |
| Weighted residual factors for all reflections included in the refinement | 0.0948 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.302 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179090 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52. |
4305276.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305276.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305276.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305276.cif |
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Users of the data should acknowledge the original authors of the
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