Information card for entry 4084835

Structure parameters

• Formula: C166 H140 F10 N2 O4 P4 Pt2
• Calculated formula: C166 H140 F10 N2 O4 P4 Pt2
• SMILES: [Pt]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)(C#CC#CC#CC#CC#CC#C[Pt]([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)([P](c1ccc(cc1)C)(c1ccc(cc1)C)c1ccc(cc1)C)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F.O1c2ccc(c3nc4c5nc(ccc5ccc4cc3)c3ccc(OCCCCCCOc4ccc5ccc(OCCCCCC1)cc5c4)cc3)cc2.c1ccccc1.c1ccccc1
• Title of publication: Rotaxanes Derived from Dimetallic Polyynediyl Complexes: Extended Axles and Expanded Macrocycles
• Authors of publication: Baranová, Zuzana; Amini, Hashem; Bhuvanesh, Nattamai; Gladysz, John A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6746
• a: 13.214 ± 0.009 Å
• b: 21.955 ± 0.016 Å
• c: 24.747 ± 0.018 Å
• α: 99.477 ± 0.007°
• β: 104.268 ± 0.007°
• γ: 90.432 ± 0.007°
• Cell volume: 6854 ± 8 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110.15 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: 0.0908
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.1242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No