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Information card for entry 4325976
Preview
| Coordinates | 4325976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H21 Fe3 O7 P |
|---|---|
| Calculated formula | C23 H21 Fe3 O7 P |
| SMILES | [Fe]123456([Fe]([P]1([Fe]1789(C#[O])(C#[O])[cH]%10[cH]9[cH]8[cH]7[cH]1%10)C1CCCCC1)(C2=O)(C#[O])(C#[O])C#[O])(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61 |
| Title of publication | Heterometallic Derivatives of [Fe2Cp2(μ-PCy)(μ-CO)(CO)2]: Rational Synthesis of Polynuclear Complexes from Neutral Precursors Having Pyramidal-Phosphinidene Bridges |
| Authors of publication | M. Angeles Alvarez; M. Esther García; Rocío González; Alberto Ramos; Miguel A. Ruiz |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2011 |
| Journal volume | 50 |
| Pages of publication | 7894 - 7906 |
| a | 11.984 ± 0.0002 Å |
| b | 13.8562 ± 0.0003 Å |
| c | 17.5092 ± 0.0004 Å |
| α | 90° |
| β | 123.355 ± 0.001° |
| γ | 90° |
| Cell volume | 2428.53 ± 0.09 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0721 |
| Residual factor for significantly intense reflections | 0.0604 |
| Weighted residual factors for significantly intense reflections | 0.1519 |
| Weighted residual factors for all reflections included in the refinement | 0.1656 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179362 (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 4/32/59. |
4325976.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325976.cif |
| 47012 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325976 via cif-deposit CGI script. |
4325976.cif |
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Users of the data should acknowledge the original authors of the
structural data.