Information card for entry 7244033

Structure parameters

• Formula: C24 H19 Cl N5 O2 Rh
• Calculated formula: C24 H19 Cl N5 O2 Rh
• SMILES: [Rh]123(Cl)([n]4ccccc4C(=O)N1c1[nH+]cccc1N2C(=O)c1[n]3cccc1)Cc1ccccc1
• 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: 8.823 ± 0.001 Å
• b: 11.1353 ± 0.0008 Å
• c: 12.6467 ± 0.0012 Å
• α: 64.079 ± 0.008°
• β: 77.813 ± 0.011°
• γ: 71.596 ± 0.001°
• Cell volume: 1056.45 ± 0.19 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No