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Information card for entry 4081166
Preview
Coordinates | 4081166.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C49 H52 Fe P2 Si |
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Calculated formula | C49 H52 Fe P2 Si |
SMILES | [Fe]12345([P](CC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)C#Cc1cccc(c1)C#C[Si](C)(C)C |
Title of publication | Synthesis and Characterization of Redox-Active Mononuclear Fe(κ2-dppe)(η5-C5Me5)-Terminated π-Conjugated Wires |
Authors of publication | Green, Katy; Gauthier, Nicolas; Sahnoune, Hiba; Argouarch, Gilles; Toupet, Loic; Costuas, Karine; Bondon, Arnaud; Fabre, Bruno; Halet, Jean-François; Paul, Frédéric |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 15 |
Pages of publication | 4366 |
a | 11.9231 ± 0.0004 Å |
b | 21.4567 ± 0.0007 Å |
c | 16.4439 ± 0.0006 Å |
α | 90° |
β | 97.744 ± 0.003° |
γ | 90° |
Cell volume | 4168.5 ± 0.2 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0791 |
Residual factor for significantly intense reflections | 0.0415 |
Weighted residual factors for significantly intense reflections | 0.0992 |
Weighted residual factors for all reflections included in the refinement | 0.1075 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.892 |
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/4081166.html
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