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Information card for entry 4085336
Preview
| Coordinates | 4085336.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C62 H74 Fe Ga I N2 P |
|---|---|
| Calculated formula | C62 H73 Fe Ga I N2 P |
| SMILES | [C]12(=[CH]3[C]4(=[CH]5C(c6ccccc6)(P1[Ga]1(I)[N](=C(C=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[Fe]16782345[c]2([c]1([c]6([c]7([c]82C)C)C)C)C)c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, Structure, and Reactivity of Pentamethylcyclopentadienyl 2,4,6-Triphenylphosphinine Iron Complexes |
| Authors of publication | Rezaei Rad, Babak; Chakraborty, Uttam; Mühldorf, Bernd; Sklorz, Julian A. W.; Bodensteiner, Michael; Müller, Christian; Wolf, Robert |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 3 |
| Pages of publication | 622 |
| a | 20.012 ± 0.0002 Å |
| b | 13.6296 ± 0.0001 Å |
| c | 19.429 ± 0.0001 Å |
| α | 90° |
| β | 92.066 ± 0.001° |
| γ | 90° |
| Cell volume | 5295.92 ± 0.07 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 7 |
| 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 | 0.0371 |
| Residual factor for significantly intense reflections | 0.0365 |
| Weighted residual factors for significantly intense reflections | 0.0918 |
| Weighted residual factors for all reflections included in the refinement | 0.0921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178742 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/53. |
4085336.cif |
| 132970 | 2015-03-04 | cif/ Updating files of 4085329, 4085330, 4085331, 4085332, 4085333, 4085334, 4085335, 4085336 Original log message: Adding full bibliography for 4085329--4085336.cif. |
4085336.cif |
| 130838 | 2015-02-04 | cif/ Adding structures of 4085329, 4085330, 4085331, 4085332, 4085333, 4085334, 4085335, 4085336 via cif-deposit CGI script. |
4085336.cif |
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