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Information card for entry 4308316
Preview
| Coordinates | 4308316.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C116 H164 Cl2 N0 O14 Sm2 |
|---|---|
| Calculated formula | C116 H164 Cl2 O14 Sm2 |
| SMILES | c12c3cc(cc1Cc1cc(cc4c1O[Sm]15([O]2C)([O](c2c(C4)cc(cc2Cc2cc(cc(c2O1)C3)C(C)(C)C)C(C)(C)C)C)([Cl][Sm]123([Cl]5)([O](c4c5cc(cc4Cc4cc(cc(c4O1)Cc1cc(cc(c1[O]2C)Cc1cc(cc(c1O3)C5)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C)[O]1CCCC1)[O]1CCCC1)C(C)(C)C)C(C)(C)C.C1CCCO1.C1OCCC1.C1CCCO1.C1CCCO1 |
| 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 | 35.136 ± 0.0002 Å |
| b | 16.798 ± 0.0002 Å |
| c | 20.627 ± 0.0002 Å |
| α | 90 ± 0.01° |
| β | 109.004 ± 0.01° |
| γ | 90 ± 0.01° |
| Cell volume | 11510.8 ± 0.7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0921 |
| Residual factor for significantly intense reflections | 0.0759 |
| Weighted residual factors for significantly intense reflections | 0.2084 |
| Weighted residual factors for all reflections included in the refinement | 0.2159 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| 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. |
4308316.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308316.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308316.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308316.cif |
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