Information card for entry 4130065

Structure parameters

• Formula: C127 H137 Cl3 N4 O9 Rh2
• Calculated formula: C127 H131 Cl3 N4 O9 Rh2
• SMILES: [Rh]1234([Rh]([O]=C(O1)C15c6cc(c(cc6C(c6cc(c(cc56)C)C)c5c1cc(C)c(c5)C)C)C)(OC(=[O]2)C12c5c(cc(c(C)c5)C)C(c5c1cc(c(c5)C)C)c1cc(c(C)cc21)C)([O]=C(O3)C12c3c(C(c5cc(c(cc15)C)C)c1cc(C)c(C)cc21)cc(c(c3)C)C)(OC(=[O]4)C12c3c(cc(C)c(C)c3)C(c3cc(C)c(cc23)C)c2cc(c(cc12)C)C)[n]1ccc(N(C)C)cc1)[n]1ccc(N(C)C)cc1.ClC(Cl)Cl.O(CC)CC
• Title of publication: Rotational Control of a Dirhodium-Centered Supramolecular Four-Gear System by Ligand Exchange.
• Authors of publication: Sanada, Kazuma; Ube, Hitoshi; Shionoya, Mitsuhiko
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 9
• Pages of publication: 2945 - 2948
• a: 17.3805 ± 0.0005 Å
• b: 25.1289 ± 0.0007 Å
• c: 25.2907 ± 0.0008 Å
• α: 90°
• β: 98.602 ± 0.0008°
• γ: 90°
• Cell volume: 10921.5 ± 0.6 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0869
• Weighted residual factors for all reflections included in the refinement: 0.2291
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No