Information card for entry 4108056

Structure parameters

• Formula: C148 H100 Ag9 F27 N24 O46 S21
• Calculated formula: C148 H72 Ag9 F27 N24 O46 S21
• SMILES: [Ag]1([n]2c(scc2)c2c(c3c(c(c2c2sccn2)c2scc[n]2[Ag][n]2c(occ2)c2c4c(c5c(c2c2ccc(cc2)c2occ[n]2[Ag][n]2c(occ2)c2ccc(c6c7c(c8c(c6c6occ[n]6[Ag][n]6c(scc6)c6c(c(c(c(c6c6sccn6)c6scc[n]6[Ag][n]6c7occ6)c6sccn6)c6scc[n]6[Ag][n]6c8occ6)c6sccn6)c6ccc(cc6)c6occ[n]6[Ag][n]6c(occ6)c6ccc5cc6)c5ccc(cc5)c5occ[n]5[Ag][n]5c(occ5)c5ccc4cc5)cc2)c2occ[n]12)c1occ[n]1[Ag][n]1c3scc1)c1sccn1)c1sccn1)[OH]C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.OC.OC.OC.OC.OC.OC
• Title of publication: Ranging Correlated Motion (1.5 nm) of Two Coaxially Arranged Rotors Mediated by Helix Inversion of a Supramolecular Transmitter
• Authors of publication: Shuichi Hiraoka; Erika Okuno; Takaaki Tanaka; Motoo Shiro; Mitsuhiko Shionoya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 9089 - 9098
• a: 21.2194 ± 0.0009 Å
• b: 21.3055 ± 0.0008 Å
• c: 24.4632 ± 0.001 Å
• α: 89.325 ± 0.003°
• β: 79.31 ± 0.003°
• γ: 63.263 ± 0.003°
• Cell volume: 9673.3 ± 0.7 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1345
• Weighted residual factors for all reflections included in the refinement: 0.3908
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No