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Information card for entry 4324475
Preview
| Coordinates | 4324475.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | Fe2(SMes)2(N{SiMe3}2)2(THF)2 |
|---|---|
| Formula | C38 H74 Fe2 N2 O2 S2 Si4 |
| Calculated formula | C38 H74 Fe2 N2 O2 S2 Si4 |
| SMILES | C[Si](C)(N([Fe]1([O]2CCCC2)[S](c2c(cc(cc2C)C)C)[Fe](N([Si](C)(C)C)[Si](C)(C)C)([O]2CCCC2)[S]1c1c(cc(cc1C)C)C)[Si](C)(C)C)C |
| Title of publication | Iron-Mediated Hydrazine Reduction and the Formation of Iron-Arylimide Heterocubanes |
| Authors of publication | Michael J. Zdilla; Atul K. Verma; Sonny C. Lee |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 1551 - 1562 |
| a | 10.4231 ± 0.0003 Å |
| b | 10.9167 ± 0.0005 Å |
| c | 12.8489 ± 0.0005 Å |
| α | 66.488 ± 0.002° |
| β | 69.768 ± 0.002° |
| γ | 85.21 ± 0.002° |
| Cell volume | 1255.4 ± 0.09 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.0414 |
| Weighted residual factors for all reflections | 0.1192 |
| Weighted residual factors for significantly intense reflections | 0.1033 |
| Goodness-of-fit parameter for all reflections | 1.026 |
| Goodness-of-fit parameter for significantly intense reflections | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4324475.cif |
| 179347 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44. |
4324475.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324475.cif |
| 41183 | 2012-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4324475 via cif-deposit CGI script. |
4324475.cif |
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Users of the data should acknowledge the original authors of the
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