Information card for entry 4130066

Structure parameters

• Formula: C126 H130 N2 O10 Rh2
• Calculated formula: C126 H130 N2 O10 Rh2
• SMILES: [Rh]1234([Rh]([O]=C(O1)C15c6cc(C)c(C)cc6C(c6cc(C)c(C)cc16)c1c5cc(C)c(C)c1)(OC(=[O]2)C12c5cc(C)c(C)cc5C(c5cc(C)c(C)cc15)c1c2cc(C)c(C)c1)([O]=C(O3)C12c3cc(C)c(C)cc3C(c3cc(C)c(C)cc13)c1c2cc(C)c(C)c1)(OC(=[O]4)C12c3cc(C)c(C)cc3C(c3cc(C)c(C)cc13)c1c2cc(C)c(C)c1)[n]1ccccc1)[n]1ccccc1.O(CC)CC.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: 18.3091 ± 0.0005 Å
• b: 21.6571 ± 0.0004 Å
• c: 27.5325 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10917.2 ± 0.4 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1388
• Residual factor for significantly intense reflections: 0.0735
• Weighted residual factors for significantly intense reflections: 0.1442
• Weighted residual factors for all reflections included in the refinement: 0.1808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No