Information card for entry 4323375

Structure parameters

• Chemical name: [T-4-[(R-(R~*~,R~*~)]]-Λ-(–)-bis(1,1,4,7,10,10-hexaphenyl-1,4,7,10- tetraphosphadecane)digold(I) hexafluorophosphate dichloromethane-solvate
• Formula: C85 H86 Au2 Cl2 F12 P10
• Calculated formula: C85 H86 Au2 Cl2 F12 P10
• SMILES: [Au]123[P](CC[P@]1(CC[P@]1([Au]4([P](CC1)(c1ccccc1)c1ccccc1)[P@](CC[P@@]3(CC[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(CC[P]4(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Self-Assembly of Homochiral Double Helix and Side-by-Side Helix Conformers of Double-Stranded Disilver(I)- and Digold(I)-Tetra(tertiary phosphine) Helicates
• Authors of publication: Anthea L. Airey; Gerhard F. Swiegers; Anthony C. Willis; S. Bruce Wild
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1588 - 1597
• a: 15.924 ± 0.005 Å
• b: 18.392 ± 0.007 Å
• c: 29.384 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8606 ± 5 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.022
• Goodness-of-fit parameter for significantly intense reflections: 1.22
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No