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Information card for entry 7006214
Preview
| Coordinates | 7006214.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H88 N5 O2 Si2 Sm |
|---|---|
| Calculated formula | C46 H88 N5 O2 Si2 Sm |
| SMILES | c1c2C[N](C)(CCN(C)C)[Sm]3(N([Si](C)(C)C)[Si](C)(C)C)([N](Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O3)(C)CCN(C)C)Oc2c(cc1C(C)(C)C)C(C)(C)C |
| Title of publication | Synthesis and characterisation of lanthanide phenolate compounds and their catalytic activity towards ring-opening polymerisation of cyclic esters. |
| Authors of publication | Binda, Pascal I.; Delbridge, Ewan E. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2007 |
| Journal issue | 41 |
| Pages of publication | 4685 - 4692 |
| a | 16.702 ± 0.013 Å |
| b | 17.316 ± 0.013 Å |
| c | 18.926 ± 0.014 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 5474 ± 7 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 20 |
| Hermann-Mauguin space group symbol | C 2 2 21 |
| Hall space group symbol | C 2c 2 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0321 |
| Weighted residual factors for significantly intense reflections | 0.05 |
| Weighted residual factors for all reflections included in the refinement | 0.0514 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.374 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301846 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
7006214.cif |
| 179766 | 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 7/00/62. |
7006214.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7006214.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7006214.cif |
| 1186 | 2010-06-03 | Adding CIFs from Chem-Comm-2010_20-22/ and Dalton-Trans-2007/ processing. | 7006214.cif |
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Users of the data should acknowledge the original authors of the
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