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Information card for entry 4064998
Preview
| Coordinates | 4064998.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C88 H83 Fe Mo P4 |
|---|---|
| Calculated formula | C88 H83 Fe Mo P4 |
| Title of publication | Spectroscopic Evidence for Redox Isomerism in the 1,4-Diethynylbenzene-Bridged Heterobimetallic Cation [{Fe(dppe)Cp*}(μ-C≡CC6H4C≡C){Mo(dppe)(η-C7H7)}]PF6 |
| Authors of publication | Fitzgerald, Emma C.; Ladjarafi, Abdelkader; Brown, Neil J.; Collison, David; Costuas, Karine; Edge, Ruth; Halet, Jean-François; Justaud, Frédéric; Low, Paul J.; Meghezzi, Hacène; Roisnel, Thierry; Whiteley, Mark W.; Lapinte, Claude |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 15 |
| Pages of publication | 4180 |
| a | 19.477 ± 0.002 Å |
| b | 24.103 ± 0.002 Å |
| c | 31.649 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 14858 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1337 |
| Residual factor for significantly intense reflections | 0.0896 |
| Weighted residual factors for significantly intense reflections | 0.2164 |
| Weighted residual factors for all reflections included in the refinement | 0.245 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.093 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178543 (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 4/06/49. |
4064998.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064998.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064998.cif |
| 33126 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064998 via cif-deposit CGI script. |
4064998.cif |
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