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Information card for entry 7011189
Preview
| Coordinates | 7011189.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C76 H70 Fe Mo O3 P4 |
|---|---|
| Calculated formula | C76 H68 Fe Mo O3 P4 |
| SMILES | [Fe]123456789[c]%10([cH]1[c]12[P]([Mo]([P]([c]31[cH]4%10)(c1ccccc1)c1ccccc1)([P]([c]18[c]7([cH]6[c]5([cH]91)C(C)(C)C)P(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)C(C)(C)C.Cc1ccccc1 |
| 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 | 15.045 ± 0.003 Å |
| b | 17.246 ± 0.003 Å |
| c | 25.762 ± 0.004 Å |
| α | 90° |
| β | 97.899 ± 0.014° |
| γ | 90° |
| Cell volume | 6621 ± 2 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 | 0.1645 |
| Residual factor for significantly intense reflections | 0.0456 |
| Weighted residual factors for significantly intense reflections | 0.1067 |
| Weighted residual factors for all reflections included in the refinement | 0.1315 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
7011189.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. |
7011189.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7011189.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7011189.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7011189.cif |
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