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Information card for entry 4064100
Preview
| Coordinates | 4064100.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C37 H46 Cl4 Fe4 O3 P2 |
|---|---|
| Calculated formula | C37 H46 Cl4 Fe4 O3 P2 |
| SMILES | [C]12(=O)[Fe]3456789(C(=O)[Fe]%10%11%12%13%1429([Fe]29%15%16%1714([P]3(C1CCCCC1)[Fe]134%18(C#[O])([cH]%19[cH]4[cH]%18[cH]3[cH]1%19)[P]%10%15C1CCCCC1)[cH]1[cH]2[cH]9[cH]%17[cH]%161)[cH]1[cH]%11[cH]%12[cH]%13[cH]%141)[cH]1[cH]6[cH]7[cH]8[cH]51.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Synthesis and Decarbonylation Reactions of Diiron Cyclopentadienyl Complexes with Bent-Phosphinidene Bridges |
| Authors of publication | Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ramos, Alberto; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 5 |
| Pages of publication | 1102 |
| a | 18.6619 ± 0.0007 Å |
| b | 19.2134 ± 0.0006 Å |
| c | 10.4001 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3729 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 62 |
| Hermann-Mauguin space group symbol | P n m a |
| Hall space group symbol | -P 2ac 2n |
| Residual factor for all reflections | 0.0744 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.0613 |
| Weighted residual factors for all reflections included in the refinement | 0.0715 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| 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 |
|---|---|---|---|
| 178535 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/41. |
4064100.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064100.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064100.cif |
| 32781 | 2012-02-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4064100, 4064101 via cif-deposit CGI script. |
4064100.cif |
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Users of the data should acknowledge the original authors of the
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