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Information card for entry 4518345
Preview
Coordinates | 4518345.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 |
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Calculated formula | C118 H75 Cl18 F12 N4 O16.5 Rh2 S8 |
Title of publication | Conformational Control in Dirhodium(II) Paddlewheel Catalysts Supported by Chalcogen-Bonding Interactions for Stereoselective Intramolecular C‒H Insertion Reactions |
Authors of publication | Murai, Takuya; Lu, Wenjie; Kuribayashi, Toshifumi; Morisaki, Kazuhiro; Ueda, Yoshihiro; Hamada, Shohei; Kobayashi, Yusuke; Sasamori, Takahiro; Tokitoh, Norihiro; Kawabata, Takeo; Furuta, Takumi |
Journal of publication | ACS Catalysis |
Year of publication | 2020 |
Pages of publication | 568 - 578 |
a | 30.933 ± 0.0007 Å |
b | 17.5225 ± 0.0006 Å |
c | 24.1606 ± 0.0007 Å |
α | 90° |
β | 92.0449 ± 0.001° |
γ | 90° |
Cell volume | 13087.3 ± 0.7 Å3 |
Cell temperature | 113 ± 2 K |
Ambient diffraction temperature | 113 ± 2 K |
Number of distinct elements | 8 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.0897 |
Residual factor for significantly intense reflections | 0.0604 |
Weighted residual factors for significantly intense reflections | 0.1479 |
Weighted residual factors for all reflections included in the refinement | 0.179 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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