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Information card for entry 7004963
Preview
| Coordinates | 7004963.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H118 N6 Sm |
|---|---|
| Calculated formula | C80 H118 N6 Sm |
| SMILES | [Sm]12([N](=C(N1c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C)[N](=C(N2c1c(cccc1C(C)C)C(C)C)N(C1CCCCC1)C1CCCCC1)c1c(cccc1C(C)C)C(C)C.c1ccccc1 |
| Title of publication | Homoleptic lanthanide(II)-bis(guanidinate) complexes, [Ln(Giso)(2)] (Giso = [(ArN)(2)CN(C(6)H(11))(2)](-), Ar = C(6)H(3)Pr(i)(2)-2,6): planar 4-coordinate (Ln = Sm or Eu) vs distorted tetrahedral (Ln = Yb) geometries. |
| Authors of publication | Heitmann, Dennis; Jones, Cameron; Junk, Peter C.; Lippert, Kai-Alexander; Stasch, Andreas |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 2 |
| Pages of publication | 187 - 189 |
| a | 12.62 ± 0.003 Å |
| b | 31.033 ± 0.006 Å |
| c | 18.64 ± 0.004 Å |
| α | 90° |
| β | 99.11 ± 0.03° |
| γ | 90° |
| Cell volume | 7208 ± 3 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0554 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.081 |
| Weighted residual factors for all reflections included in the refinement | 0.0874 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179753 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/49. |
7004963.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004963.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004963.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7004963.cif |
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