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Information card for entry 7011190
Preview
| Coordinates | 7011190.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C77 H79 Fe Mn O P4 |
|---|---|
| Calculated formula | C77 H67 Fe Mn O P4 |
| SMILES | [Fe]123456789[c]%10([cH]4[c]3([P]([Mn]34%11%12(C#[O])([P]([c]%137[c]8(P(c7ccccc7)c7ccccc7)[cH]9[c]5([cH]6%13)C(C)(C)C)(c5ccccc5)c5ccccc5)[cH]5[cH]%12[cH]%11[cH]4[cH]35)(c3ccccc3)c3ccccc3)[c]2(P(c2ccccc2)c2ccccc2)[cH]1%10)C(C)(C)C.CCCCC |
| Title of publication | Different coordination modes of a 1,1',2,2'-ferrocenyltetraphosphine: bi- and tri-dentate behaviour with group 6 and 7 transition metals |
| Authors of publication | André-Bentabet, Emmanuelle; Broussier, Roland; Amardeil, Régine; Hierso, Jean-Cyrille; Richard, Philippe; Fasseur, Dominique; Gautheron, Bernard; Meunier, Philippe |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2002 |
| Journal issue | 11 |
| Pages of publication | 2322 |
| a | 11.39 ± 0.003 Å |
| b | 24.3 ± 0.008 Å |
| c | 24.76 ± 0.013 Å |
| α | 90° |
| β | 102.91 ± 0.03° |
| γ | 90° |
| Cell volume | 6680 ± 5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2058 |
| Residual factor for significantly intense reflections | 0.065 |
| Weighted residual factors for significantly intense reflections | 0.1549 |
| Weighted residual factors for all reflections included in the refinement | 0.1979 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
7011190.cif |
| 179815 | 2016-03-25 | cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/11. |
7011190.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011190.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011190.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011190.cif |
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Users of the data should acknowledge the original authors of the
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