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Information card for entry 4078845
Preview
Coordinates | 4078845.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H33 Fe N3 Si2 |
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Calculated formula | C23 H33 Fe N3 Si2 |
SMILES | c1cccc2c3cccc4[n]3[Fe]([n]12)(C[Si](C)(C)C)([n]1ccccc41)C[Si](C)(C)C |
Title of publication | Synthesis, Electronic Structure, and Alkene Hydrosilylation Activity of Terpyridine and Bis(imino)pyridine Iron Dialkyl Complexes |
Authors of publication | Tondreau, Aaron M.; Atienza, Crisita Carmen Hojilla; Darmon, Jonathan M.; Milsmann, Carsten; Hoyt, Helen M.; Weller, Keith J.; Nye, Susan A.; Lewis, Kenrick M.; Boyer, Julie; Delis, Johannes G. P.; Lobkovsky, Emil; Chirik, Paul J. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 13 |
Pages of publication | 4886 |
a | 16.1666 ± 0.001 Å |
b | 9.6372 ± 0.0006 Å |
c | 15.9377 ± 0.0012 Å |
α | 90° |
β | 91.543 ± 0.002° |
γ | 90° |
Cell volume | 2482.2 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0351 |
Residual factor for significantly intense reflections | 0.027 |
Weighted residual factors for significantly intense reflections | 0.0681 |
Weighted residual factors for all reflections included in the refinement | 0.0741 |
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 |
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