Information card for entry 4130015

Structure parameters

• Formula: C89 H67 F12 N11 O6 P2 Ru
• Calculated formula: C89 H67 F12 N11 O6 P2 Ru
• SMILES: [Ru]12345[n]6c(c7[n]5cc(cc7)COc5c(cccc5)C(c5ccccc5OCc5c[n]1c(cc5)c1[n]2cc(cc1)C#Cc1ccc(cc1)C=O)c1ccccc1OCc1c[n]3c(cc1)c1[n]4cc(cc1)C#Cc1ccc(C=O)cc1)ccc(c6)C#Cc1ccc(cc1)C=O.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC.N#CC.N#CC.N#CC
• Title of publication: A Hierarchical Self-Assembly System Built Up from Preorganized Tripodal Helical Metal Complexes.
• Authors of publication: Nakamura, Takashi; Kimura, Hikaru; Okuhara, Takashi; Yamamura, Masaki; Nabeshima, Tatsuya
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 3
• Pages of publication: 794 - 797
• a: 14.701 ± 0.005 Å
• b: 14.717 ± 0.005 Å
• c: 22.163 ± 0.007 Å
• α: 73.645 ± 0.003°
• β: 72.336 ± 0.003°
• γ: 62.544 ± 0.003°
• Cell volume: 3997 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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 all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for significantly intense reflections: 0.2001
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No