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Information card for entry 4308317
Preview
| Coordinates | 4308317.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C174 H238 N2 Na O21 Sm3 |
|---|---|
| Calculated formula | C174 H238 N2 Na O21 Sm3 |
| SMILES | [Sm]123456[O](c7c8Cc9cc(cc(Cc%10c(c(cc(c%10)C(C)(C)C)Cc%10cc(cc(Cc7cc(c8)C(C)(C)C)c%10[O]1C)C(C)(C)C)O5)c9[O]6C)C(C)(C)C)[Sm]1567([N]2(=[N]138)[Sm]8123(Oc8c9cc(cc8Cc8cc(cc(Cc%10cc(cc(Cc%11cc(cc(C9)c%11[O]1C)C(C)(C)C)c%10[O]42)C(C)(C)C)c8[O]3C)C(C)(C)C)C(C)(C)C)[O]1CCCC1)[O]4[Na]([O]5c1c2cc(cc1Cc1c(c(cc(c1)C(C)(C)C)Cc3cc(cc(c34)Cc3cc(cc(c3[O]7C)C2)C(C)(C)C)C(C)(C)C)[O]6C)C(C)(C)C)[O]1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1.O1CCCC1 |
| Title of publication | Use of Calix[4]arenes in the Redox Chemistry of Lanthanides: the Reduction of Dinitrogen by a Calix[4]arene-Samarium Complex |
| Authors of publication | Geoffroy Guillemot; Barbara Castellano; Thierry Prangé; Euro Solari; Carlo Floriani |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 5152 - 5154 |
| a | 19.471 ± 0.0002 Å |
| b | 20.34 ± 0.0004 Å |
| c | 25.884 ± 0.0004 Å |
| α | 103.26 ± 0.1° |
| β | 103.37 ± 0.1° |
| γ | 114.44 ± 0.1° |
| Cell volume | 8446 ± 13 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1251 |
| Residual factor for significantly intense reflections | 0.0719 |
| Weighted residual factors for significantly intense reflections | 0.1953 |
| Weighted residual factors for all reflections included in the refinement | 0.2235 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.977 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179121 (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 4/30/83. |
4308317.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308317.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308317.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308317.cif |
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Users of the data should acknowledge the original authors of the
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