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Information card for entry 4071679
Preview
| Coordinates | 4071679.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H54 Fe2 Ga O6 P3 |
|---|---|
| Calculated formula | C57 H54 Fe2 Ga O6 P3 |
| SMILES | [Fe]([Ga][Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C)([P](Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)(C#[O])(C#[O])C#[O] |
| Title of publication | Reactions of a Gallium-Bridged Diiron Complex with Alkyl Lithium, HCl, and Phosphines |
| Authors of publication | Muraoka, Takako; Motohashi, Hideaki; Hirotsu, Masakazu; Ueno, Keiji |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 15 |
| Pages of publication | 3918 |
| a | 11.3945 ± 0.0008 Å |
| b | 14.6164 ± 0.001 Å |
| c | 17.6617 ± 0.0011 Å |
| α | 108.559 ± 0.001° |
| β | 99.294 ± 0.002° |
| γ | 110.135 ± 0.002° |
| Cell volume | 2493.7 ± 0.3 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 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 | 0.0382 |
| Residual factor for significantly intense reflections | 0.037 |
| Weighted residual factors for significantly intense reflections | 0.0908 |
| Weighted residual factors for all reflections included in the refinement | 0.0918 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.136 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178605 (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 4/07/16. |
4071679.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4071679.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4071679.cif |
| 43977 | 2012-03-15 | ../uploads/cif-deposit/cod/cif Adding structures of 4071679, 4071680 via cif-deposit CGI script. |
4071679.cif |
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Users of the data should acknowledge the original authors of the
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