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Information card for entry 4107517
Preview
Coordinates | 4107517.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C38 H46 Cl2 Ru2 S2 |
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Calculated formula | C38 H46 Cl2 Ru2 S2 |
SMILES | [Ru]123456([Ru]789%10([S]1C)([S]2C)([c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)C#CC(=C(c1ccccc1)c1ccccc1)Cl)(Cl)[c]1([c]6([c]5([c]4([c]31C)C)C)C)C |
Title of publication | Ruthenium-Catalyzed Vinylic Substitution Reactions with Nucleophiles via Butatrienylidene Intermediates |
Authors of publication | Yoshihiro Yamauchi; Masahiro Yuki; Yoshiaki Tanabe; Yoshihiro Miyake; Youichi Inada; Sakae Uemura; Yoshiaki Nishibayashi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 2908 - 2909 |
a | 8.8042 ± 0.0001 Å |
b | 24.7788 ± 0.0003 Å |
c | 17.0166 ± 0.0003 Å |
α | 90° |
β | 101.457 ± 0.0002° |
γ | 90° |
Cell volume | 3638.33 ± 0.09 Å3 |
Cell temperature | 173.1 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 significantly intense reflections | 0.03 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 1 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4107517.cif |
120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4107517.cif |
55203 | 2012-05-04 | cif/ Adding structures of 4107517 via cif-deposit CGI script. |
4107517.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.