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Information card for entry 4325975
Preview
| Coordinates | 4325975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H21 Cr Fe2 O8 P |
|---|---|
| Calculated formula | C24 H21 Cr Fe2 O8 P |
| SMILES | [Fe]123456([Cr]([P]1([Fe]1789(C#[O])(C#[O])[cH]%10[cH]1[cH]7[cH]8[cH]9%10)C1CCCCC1)(C2=O)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31 |
| 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 | 9.7622 ± 0.0002 Å |
| b | 18.5003 ± 0.0003 Å |
| c | 13.3338 ± 0.0002 Å |
| α | 90° |
| β | 95.024 ± 0.001° |
| γ | 90° |
| Cell volume | 2398.88 ± 0.07 Å3 |
| Cell temperature | 100 ± 0.1 K |
| Ambient diffraction temperature | 100 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.027 |
| Residual factor for significantly intense reflections | 0.0214 |
| Weighted residual factors for significantly intense reflections | 0.0508 |
| Weighted residual factors for all reflections included in the refinement | 0.053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4325975.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325975.cif |
| 47011 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325975 via cif-deposit CGI script. |
4325975.cif |
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Users of the data should acknowledge the original authors of the
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