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Information card for entry 4122651
Preview
Coordinates | 4122651.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Cp*(IXy)(H)2RuSnTrip |
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Formula | C44 H60 N2 Ru Sn |
Calculated formula | C44 H58 N2 Ru Sn |
SMILES | C1(N(c2c(C)cccc2C)C=CN1c1c(C)cccc1C)=[Ru]1234([c]5([c]1(C)[c]2(C)[c]3([c]45C)C)C)[Sn]c1c(cc(cc1C(C)C)C(C)C)C(C)C |
Title of publication | 1,2-Hydrogen Migration to a Saturated Ruthenium Complex via Reversal of Electronic Properties for Tin in a Stannylene-to-Metallostannylene Conversion. |
Authors of publication | Liu, Hsueh-Ju; Guihaumé, Julie; Davin, Thomas; Raynaud, Christophe; Eisenstein, Odile; Tilley, T. Don |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 40 |
Pages of publication | 13991 |
a | 10.4244 ± 0.0007 Å |
b | 31.64 ± 0.002 Å |
c | 12.6878 ± 0.0008 Å |
α | 90° |
β | 107.884 ± 0.003° |
γ | 90° |
Cell volume | 3982.6 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0955 |
Residual factor for significantly intense reflections | 0.0867 |
Weighted residual factors for significantly intense reflections | 0.2038 |
Weighted residual factors for all reflections included in the refinement | 0.2073 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.235 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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