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Information card for entry 4325493
Preview
| Coordinates | 4325493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C46 H36 Fe N2 O2 |
|---|---|
| Calculated formula | C46 H36 Fe N2 O2 |
| SMILES | [Fe]([n]1ccccc1)([n]1ccccc1)(Oc1c(cccc1c1ccccc1)c1ccccc1)Oc1c(cccc1c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, Characterization, and Electrochemical Properties of a Series of Sterically Varied Iron(II) Alkoxide Precursors and Their Resultant Nanoparticles |
| Authors of publication | Timothy J. Boyle; Leigh Anna M. Ottley; Christopher A. Apblett; Constantine A. Stewart; Sarah M. Hoppe; Krista L. Hawthorne; Mark A. Rodriguez |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 6174 - 6182 |
| a | 13.131 ± 0.002 Å |
| b | 15.622 ± 0.003 Å |
| c | 19.182 ± 0.004 Å |
| α | 90° |
| β | 109.558 ± 0.003° |
| γ | 90° |
| Cell volume | 3707.8 ± 1.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0292 |
| Residual factor for significantly intense reflections | 0.0273 |
| Weighted residual factors for significantly intense reflections | 0.0737 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
| 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. |
4325493.cif |
| 179357 | 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 4/32/54. |
4325493.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325493.cif |
| 44563 | 2012-03-16 | ../uploads/cif-deposit/cod/cif Adding structures of 4325493 via cif-deposit CGI script. |
4325493.cif |
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Users of the data should acknowledge the original authors of the
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