Information card for entry 7244032

Structure parameters

• Formula: C41 H35 Cl2 N5 O2 P Rh
• Calculated formula: C41 H31 Cl2 N5 O2 P Rh
• Title of publication: Reductive C(sp3)–C(sp3) homo-coupling of benzyl or allyl halides with H2 using a water-soluble electron storage catalyst
• Authors of publication: Yatabe, Takeshi; Futakuchi, Sayaka; Miyazawa, Keishi; Shimauchi, Daiki; Takahashi, Yukina; Yoon, Ki-Seok; Nakai, Hidetaka; Ogo, Seiji
• Journal of publication: RSC Advances
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 62
• Pages of publication: 39450 - 39454
• a: 10.9618 ± 0.0016 Å
• b: 28.137 ± 0.003 Å
• c: 12.411 ± 0.0018 Å
• α: 90°
• β: 107.366 ± 0.003°
• γ: 90°
• Cell volume: 3653.5 ± 0.8 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• 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: 0.071
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1238
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No