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Information card for entry 4067738
Preview
| Coordinates | 4067738.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C33 H29 Cl2 Fe2 N O5 P2 S2 |
|---|---|
| Calculated formula | C33 H29 Cl2 Fe2 N O5 P2 S2 |
| SMILES | C(#[O])[Fe]123(C#[O])[P](c4ccccc4)(c4ccccc4)CN(C[S]1[Fe]3(C#[O])(C#[O])(C#[O])[P](c1ccccc1)(c1ccccc1)S2)C.C(Cl)Cl |
| Title of publication | Reactivity of [Fe2(CO)6(μ-S2)] toward a Base-Containing Diphosphine (Ph2PCH2)2NCH3: Formation of Diiron Carbonyl Compounds Having Polydentate Heterofunctionalized Phosphine (PNS = Ph2PCH2N(CH3)CH2S) and Bidentate Thiophosphinito (Ph2PS = PS) Bridges |
| Authors of publication | Lounissi, Sondès; Capon, Jean-François; Gloaguen, Frédéric; Matoussi, Fatma; Pétillon, François Y.; Schollhammer, Philippe; Talarmin, Jean |
| Journal of publication | Organometallics |
| Year of publication | 2010 |
| Journal volume | 29 |
| Journal issue | 5 |
| Pages of publication | 1296 |
| a | 15.9177 ± 0.0004 Å |
| b | 17.2413 ± 0.0005 Å |
| c | 25.658 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 7041.6 ± 0.3 Å3 |
| Cell temperature | 170 ± 2 K |
| Ambient diffraction temperature | 170 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.072 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0769 |
| Weighted residual factors for all reflections included in the refinement | 0.0953 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| 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 |
|---|---|---|---|
| 178568 (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 4/06/77. |
4067738.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4067738.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4067738.cif |
| 34280 | 2012-02-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4067737, 4067738, 4067739, 4067740 via cif-deposit CGI script. |
4067738.cif |
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