Information card for entry 4109957

Structure parameters

• Formula: C68 H92 Cu F12 N4 P2 Ru4
• Calculated formula: C68 H92 Cu F12 N4 P2 Ru4
• SMILES: [c]123C([c]45[cH]6[cH]7[c]89C([c]%10%11[cH]%12[cH]%13[c]%14%15[n]%10([Cu]%10([n]%162[c]2([cH]%17[cH]1[Ru]1%18%19%203%162%17[c]2([c]1([c]%18([c]%19([c]%202C)C)C)C)C)C([c]12[cH]3[cH]%16[c]%17(C%14(C)C)[n]%101[Ru]1%10%14%1823%16%17[c]2([c]1([c]%10([c]%14([c]%182C)C)C)C)C)(C)C)[n]48[Ru]12345679[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)[Ru]1234%11%12%13%15[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)(C)C)(C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Design and Synthesis of Polymetallic Complexes Based on meso-Calix[4]pyrrole: Platforms for Multielectron Chemistry
• Authors of publication: Luciano Cuesta; Dustin Gross; Vincent M. Lynch; Zhongping Ou; Wiroaj Kajonkijya; Kei Ohkubo; Shunichi Fukuzumi; Karl M. Kadish; Jonathan L. Sessler
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 11696 - 11697
• a: 24.456 ± 0.005 Å
• b: 11.441 ± 0.002 Å
• c: 25.36 ± 0.005 Å
• α: 90°
• β: 110.31 ± 0.03°
• γ: 90°
• Cell volume: 6655 ± 3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.2704
• Residual factor for significantly intense reflections: 0.1165
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.48
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No