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Information card for entry 4077633
Preview
| Coordinates | 4077633.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C40 H31 Cl2 Fe4 Ga2 N3 O8 |
|---|---|
| Calculated formula | C40 H31 Cl2 Fe4 Ga2 N3 O8 |
| SMILES | [Ga]1([n]2ccccc2c2[n]1cccc2)([Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.[Ga]([Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)([Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45)(Cl)Cl.N#CC |
| Title of publication | Synthesis of Cationic Diiron Complexes Bridged by a Base-Stabilized Gallium Atom [Fp2(μ-Ga·Do2)]+X-(Fp = (η-C5H5)Fe(CO)2, Do2= 2,2‘-Bipyridine,N,N,N‘,N‘-Tetramethylethylenediamine, 1,10-Phenanthroline, (4-(Dimethylamino)pyridine)2, X-= [Fp2GaCl2]-, BPh4-) |
| Authors of publication | Ueno, Keiji; Watanabe, Takahito; Ogino, Hiroshi |
| Journal of publication | Organometallics |
| Year of publication | 2000 |
| Journal volume | 19 |
| Journal issue | 26 |
| Pages of publication | 5679 |
| a | 13.816 ± 0.006 Å |
| b | 14.931 ± 0.004 Å |
| c | 10.731 ± 0.005 Å |
| α | 93.54 ± 0.03° |
| β | 99.38 ± 0.04° |
| γ | 78.16 ± 0.03° |
| Cell volume | 2136.7 ± 1.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.133 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1098 |
| Weighted residual factors for all reflections included in the refinement | 0.1349 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178665 (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 4/07/76. |
4077633.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4077633.cif |
| 54649 | 2012-04-28 | cif/ Adding structures of 4077633 via cif-deposit CGI script. |
4077633.cif |
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Users of the data should acknowledge the original authors of the
structural data.