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Information card for entry 4313469
Preview
| Coordinates | 4313469.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | [Di-(2-(Pyridyl-)Benzimidazolato)-Di-(2-(Pyridyl-)Benzimidazole-Samar ium(III)]-[Samarium(III)-Tetra-(2-(Pyridyl-)Benzimidazolate] |
|---|---|
| Formula | C120 H84 N30 Sm2 |
| Calculated formula | C120 H84 N30 Sm2 |
| SMILES | c12n(c3ccccc3n1)[Sm]134([n]5ccccc25)([n]2ccccc2c2n1c1ccccc1n2)(n1c(nc2c1cccc2)c1[n]3cccc1)n1c(nc2c1cccc2)c1[n]4cccc1.[n]12ccccc1c1[n](c3ccccc3[nH]1)[Sm]1342(n2c(nc5ccccc25)c2cccc[n]32)([n]2ccccc2c2[n]1c1ccccc1[nH]2)[n]1ccccc1c1n4c2c(cccc2)n1.c1cccc(c2nc3ccccc3[nH]2)n1.c1cccc(c2nc3ccccc3[nH]2)n1 |
| Title of publication | Two New Groups of Homoleptic Rare Earth Pyridylbenzimidazolates: (NC12H8(NH)2)[Ln(N3C12H8)4] with Ln = Y, Tb, Yb, and [Ln(N3C12H8)2(N3C12H9)2][Ln(N3C12H8)4](N3C12H9)2 with Ln = La, Sm, Eu |
| Authors of publication | Klaus Müller-Buschbaum; Catharina C. Quitmann |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 2742 - 2750 |
| a | 16.901 ± 0.002 Å |
| b | 16.901 ± 0.002 Å |
| c | 37.595 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10739 ± 2 Å3 |
| Cell temperature | 103 ± 2 K |
| Ambient diffraction temperature | 103 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 80 |
| Hermann-Mauguin space group symbol | I 41 |
| Hall space group symbol | I 4bw |
| Residual factor for all reflections | 0.1174 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1007 |
| Weighted residual factors for all reflections included in the refinement | 0.1171 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.856 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179193 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/34. |
4313469.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4313469.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4313469.cif |
| 6538 | 2011-01-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4313469 via cif-deposit CGI script. |
4313469.cif |
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