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Information card for entry 4084907
Preview
Coordinates | 4084907.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C68 H66 Fe P6 |
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Calculated formula | C68 H66 Fe P6 |
SMILES | [Fe]123([P](c4ccccc4)(c4ccccc4)CC[P]1(c1ccccc1)CCP(c1ccccc1)c1ccccc1)[P](c1ccccc1)(CC[P]2(c1ccccc1)c1ccccc1)CC[P]3(c1ccccc1)c1ccccc1 |
Title of publication | A New Spin on Cyclooctatetraene (COT) Redox Activity: Low-Spin Iron(I) Complexes That Exhibit Antiferromagnetic Coupling to a Singly Reduced η4-COT Ligand |
Authors of publication | Mukhopadhyay, Tufan K.; Flores, Marco; Feller, Russell K.; Scott, Brian L.; Taylor, R. Dean; Paz-Pasternak, Moshe; Henson, Neil J.; Rein, Francisca N.; Smythe, Nathan C.; Trovitch, Ryan J.; Gordon, John C. |
Journal of publication | Organometallics |
Year of publication | 2014 |
Journal volume | 33 |
Journal issue | 24 |
Pages of publication | 7101 |
a | 9.8705 ± 0.0005 Å |
b | 28.4738 ± 0.0013 Å |
c | 20.7566 ± 0.001 Å |
α | 90° |
β | 93.43 ± 0.001° |
γ | 90° |
Cell volume | 5823.2 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
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 | 0.0852 |
Residual factor for significantly intense reflections | 0.0453 |
Weighted residual factors for significantly intense reflections | 0.0889 |
Weighted residual factors for all reflections included in the refinement | 0.1027 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4084907.html
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