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Information card for entry 4122573
Preview
Coordinates | 4122573.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H58 Ru2 Si2 Sn |
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Calculated formula | C42 H58 Ru2 Si2 Sn |
SMILES | [Sn]123[C]45([Ru]6789%10%111([C]1=5([Ru]5%12%13%14%1524([C]61(=[C]375[Si](C)(C)C)c1ccccc1)[c]1([c]%12([c]%13([c]%14([c]%151C)C)C)C)C)c1ccccc1)[c]1([c]8([c]9([c]%10([c]%111C)C)C)C)C)[Si](C)(C)C |
Title of publication | Synthesis, structures, and electronic properties of triple- and double-decker ruthenocenes incorporated by a group 14 metallole dianion ligand. |
Authors of publication | Kuwabara, Takuya; Guo, Jing-Dong; Nagase, Shigeru; Sasamori, Takahiro; Tokitoh, Norihiro; Saito, Masaichi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2014 |
Journal volume | 136 |
Journal issue | 37 |
Pages of publication | 13059 - 13064 |
a | 11.505 ± 0.002 Å |
b | 19.578 ± 0.004 Å |
c | 17.558 ± 0.004 Å |
α | 90° |
β | 90.019 ± 0.005° |
γ | 90° |
Cell volume | 3954.8 ± 1.4 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0765 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.1011 |
Weighted residual factors for all reflections included in the refinement | 0.1086 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.107 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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