Information card for entry 4514319

Structure parameters

• Formula: C124 H114 O11 Rh2
• Calculated formula: C124 H114 O11 Rh2
• SMILES: [Rh]1234([Rh]([O](CC)CC)([O]=C(O1)[C@]1(C(C1)(c1ccccc1)c1ccccc1)c1ccc(cc1)c1ccccc1)([O]=C(O2)[C@]1(C(C1)(c1ccccc1)c1ccccc1)c1ccc(cc1)c1ccccc1)(OC(=[O]3)[C@]1(C(C1)(c1ccccc1)c1ccccc1)c1ccc(cc1)c1ccccc1)OC(=[O]4)[C@]1(C(C1)(c1ccccc1)c1ccccc1)c1ccc(cc1)c1ccccc1)[O](CC)CC.O(CC)CC
• Title of publication: Site-Selective Carbene-Induced C‒H Functionalization Catalyzed by Dirhodium Tetrakis(triarylcyclopropanecarboxylate) Complexes
• Authors of publication: Liao, Kuangbiao; Liu, Wenbin; Niemeyer, Zachary L.; Ren, Zhi; Bacsa, John; Musaev, Djamaladdin G.; Sigman, Mathew S.; Davies, Huw M. L.
• Journal of publication: ACS Catalysis
• Year of publication: 2017
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 678
• a: 11.764 ± 0.003 Å
• b: 17.436 ± 0.004 Å
• c: 26.079 ± 0.007 Å
• α: 90°
• β: 91.389 ± 0.006°
• γ: 90°
• Cell volume: 5348 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1395
• Residual factor for significantly intense reflections: 0.0987
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2181
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No