Information card for entry 4518345

Structure parameters

• Formula: C118 H75 Cl18 F12 N4 O16.5 Rh2 S8
• 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 ų
• 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