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Information card for entry 4071080
Preview
| Coordinates | 4071080.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H29 Fe2 O3 P |
|---|---|
| Calculated formula | C28 H29 Fe2 O3 P |
| SMILES | [Fe]123456([Fe]789%10%11([P]1(C=C(C7=O)c1ccc(cc1)C)C1CCCCC1)(C2=O)[cH]1[cH]%11[cH]%10[cH]9[cH]81)(C#[O])[cH]1[cH]3[cH]4[cH]5[cH]61 |
| Title of publication | Nucleophilic and Electrophilic Behavior of the Phosphinidene-Bridged Complex [Fe2(η5-C5H5)2(μ-PCy)(μ-CO)(CO)2] |
| Authors of publication | Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ruiz, Miguel A. |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 6 |
| Pages of publication | 1037 |
| a | 13.158 ± 0.002 Å |
| b | 13.171 ± 0.002 Å |
| c | 14.28 ± 0.003 Å |
| α | 90° |
| β | 91.119 ± 0.004° |
| γ | 90° |
| Cell volume | 2474.3 ± 0.7 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 ± 0.1 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 | 0.0535 |
| Residual factor for significantly intense reflections | 0.0352 |
| Weighted residual factors for significantly intense reflections | 0.0754 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| 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 |
|---|---|---|---|
| 178599 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/10. |
4071080.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071080.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071080.cif |
| 43032 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4071079, 4071080, 4071081 via cif-deposit CGI script. |
4071080.cif |
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Users of the data should acknowledge the original authors of the
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