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Information card for entry 4324411
Preview
| Coordinates | 4324411.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | μ^2^-(1,1'-(bis(ethoxymethylidenyl)ferrocene)bis(nonacarbonyl-dirhenium) |
|---|---|
| Formula | C34 H18 Fe O20 Re4 |
| Calculated formula | C34 H18 Fe O20 Re4 |
| SMILES | [Re]([Re](C#[O])(C#[O])(C#[O])(C#[O])=C(OCC)[c]12[cH]3[Fe]4567891([cH]3[cH]4[cH]25)[c]1(C(=[Re]([Re](C#[O])(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O])OCC)[cH]6[cH]7[cH]8[cH]91)(C#[O])(C#[O])(C#[O])(C#[O])C#[O] |
| Title of publication | Synthesis, Characterization, and Structural Studies of Multimetallic Ferrocenyl Carbene Complexes of Group VII Transition Metals |
| Authors of publication | Daniela I. Bezuidenhout; Simon Lotz; Marilé Landman; David C. Liles |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 1521 - 1533 |
| a | 15.56 ± 0.0014 Å |
| b | 16.0269 ± 0.0014 Å |
| c | 16.5632 ± 0.0014 Å |
| α | 98.175 ± 0.001° |
| β | 91.337 ± 0.001° |
| γ | 90.1 ± 0.001° |
| Cell volume | 4087.4 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0995 |
| Residual factor for significantly intense reflections | 0.0545 |
| Weighted residual factors for significantly intense reflections | 0.1265 |
| Weighted residual factors for all reflections included in the refinement | 0.1568 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.997 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179347 (current) | 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. |
4324411.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4324411.cif |
| 41119 | 2012-03-12 | ../uploads/cif-deposit/cod/cif Adding structures of 4324411 via cif-deposit CGI script. |
4324411.cif |
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