Information card for entry 4109778

Structure parameters

• Formula: C136 H144 B0.67 F2 N4 O4 P4 Rh2 S4
• Calculated formula: C136 H128 N4 O4 P4 Rh2 S4
• SMILES: [Rh]123[S](CC[P]2(c2ccccc2)c2ccccc2)c2ccc(cc2)c2cc(c(O)c(c2)C=N[C@@H]2CCCC[C@H]2N=Cc2c(O)c(C(C)(C)C)cc(c2)c2ccc([S]4[Rh]5([S](CC[P]5(c5ccccc5)c5ccccc5)c5ccc(c6cc(c(O)c(C=N[C@H]7[C@H](N=Cc8c(O)c(cc(c9ccc([S]1CC[P]3(c1ccccc1)c1ccccc1)cc9)c8)C(C)(C)C)CCCC7)c6)C(C)(C)C)cc5)[P](c1ccccc1)(c1ccccc1)CC4)cc2)C(C)(C)C
• Title of publication: Allosterically Regulated Supramolecular Catalysis of Acyl Transfer Reactions for Signal Amplification and Detection of Small Molecules
• Authors of publication: Martin S. Masar; Nathan C. Gianneschi; Christopher G. Oliveri; Charlotte L. Stern; SonBinh T. Nguyen; Chad A. Mirkin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 10149 - 10158
• a: 19.163 ± 0.013 Å
• b: 19.74 ± 0.012 Å
• c: 22.708 ± 0.012 Å
• α: 90°
• β: 106.49 ± 0.03°
• γ: 90°
• Cell volume: 8237 ± 9 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 9
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2303
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2157
• Weighted residual factors for all reflections included in the refinement: 0.2787
• Goodness-of-fit parameter for all reflections included in the refinement: 0.876
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No