Information card for entry 7052824

Structure parameters

• Common name: NA
• Formula: C132 H138 N24 O33 Ru3
• Calculated formula: C120 H90 N21 O12 Ru3
• SMILES: c12cccc[n]2[Ru]234([n]5c1cc(cc5c1[n]2cccc1)c1ccc(OC)cc1)[n]1c(cccc1)c1[n]3c(cc(c1)c1c(C)c(c2cc3[n]5c(c2)c2[n](cccc2)[Ru]265([n]5c(cccc5)c5cc(cc([n]25)c2[n]6cccc2)c2ccc(OC)cc2)[n]2c3cccc2)c(c(c2cc3[n]5c(c2)c2[n](cccc2)[Ru]265([n]5c(cccc5)c5cc(cc([n]25)c2[n]6cccc2)c2ccc(OC)cc2)[n]2c3cccc2)c1C)C)c1[n]4cccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Shape-persistent, ruthenium(ii)- and iron(ii)-bisterpyridine metallodendrimers: synthesis, traveling-wave ion-mobility mass spectrometry, and photophysical properties
• Authors of publication: Wang, Jin-Liang; Li, Xiaopeng; Shreiner, Carol D.; Lu, Xiaocun; Moorefield, Charles N.; Tummalapalli, Sreedhar R.; Medvetz, Douglas A.; Panzner, Matthew J.; Fronczek, Frank R.; Wesdemiotis, Chrys; Newkome, George R.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2012
• Journal volume: 36
• Journal issue: 2
• Pages of publication: 484
• a: 31.823 ± 0.007 Å
• b: 31.823 ± 0.007 Å
• c: 21.495 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18852 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No