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Information card for entry 7050627
Preview
Coordinates | 7050627.cif |
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Original paper (by DOI) | HTML |
Formula | C11 H13 F6 Fe O3 P |
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Calculated formula | C11 H13 F6 Fe O3 P |
Title of publication | ?-Donor olefin substituents alter olefin binding to CpFe(CO)2+Electronic supplementary information available: selected bond lengths and angles in CpFe(CO)2(H2C?CHNMe2)+ and CpFe(CO)2(H2C?CHOEt)+; calculated orbital occupancies and natural charges in the iron-olefin complex and the free olefin. See http://www.rsc.org/suppdata/nj/b3/b305252d/ |
Authors of publication | Watson, Lori A.; Franzman, Bethany; Bollinger, John C.; Caulton, Kenneth G. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2003 |
Journal volume | 27 |
Journal issue | 12 |
Pages of publication | 1769 |
a | 13.7979 ± 0.0018 Å |
b | 7.3558 ± 0.0009 Å |
c | 15.251 ± 0.002 Å |
α | 90° |
β | 108.775 ± 0.003° |
γ | 90° |
Cell volume | 1465.5 ± 0.3 Å3 |
Cell temperature | 112 ± 2 K |
Ambient diffraction temperature | 112 ± 2 K |
Number of distinct elements | 6 |
Space group number | 12 |
Hermann-Mauguin space group symbol | C 1 2/m 1 |
Hall space group symbol | -C 2y |
Residual factor for all reflections | 0.0743 |
Residual factor for significantly intense reflections | 0.0609 |
Weighted residual factors for significantly intense reflections | 0.1646 |
Weighted residual factors for all reflections included in the refinement | 0.1714 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.691 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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