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Information card for entry 4325973
Preview
| Coordinates | 4325973.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H46 Cl4 Fe5 O9 P2 |
|---|---|
| Calculated formula | C43 H46 Cl4 Fe5 O9 P2 |
| SMILES | [Fe]123456([Fe]789%10([P]1([Fe]([P]1([Fe]%11%12%13%14%15([Fe]%16%17%18%191(C#[O])(C%11=O)[cH]1[cH]%16[cH]%17[cH]%18[cH]%191)(C#[O])[cH]1[cH]%12[cH]%13[cH]%14[cH]%151)C1CCCCC1)(C#[O])(C#[O])C#[O])C1CCCCC1)(C#[O])(C2=O)[cH]1[cH]7[cH]8[cH]9[cH]%101)(C#[O])[cH]1[cH]6[cH]5[cH]4[cH]31.C(Cl)Cl.C(Cl)Cl |
| 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 | 9.0577 ± 0.0017 Å |
| b | 11.669 ± 0.002 Å |
| c | 22.175 ± 0.004 Å |
| α | 94.591 ± 0.003° |
| β | 99.17 ± 0.003° |
| γ | 95.294 ± 0.003° |
| Cell volume | 2293.2 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0793 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.0843 |
| Weighted residual factors for all reflections included in the refinement | 0.0933 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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 |
|---|---|---|---|
| 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. |
4325973.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4325973.cif |
| 47009 | 2012-03-21 | ../uploads/cif-deposit/cod/cif Adding structures of 4325973 via cif-deposit CGI script. |
4325973.cif |
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Users of the data should acknowledge the original authors of the
structural data.