Information card for entry 4307870

Structure parameters

• Common name: {[3-CF3,5-tBuPz]Ag}3-tol
• Formula: C37 H38 Ag3 F21 N6
• Calculated formula: C37 H38 Ag3 F21 N6
• SMILES: [Ag]1n2[n]([Ag]n3[n]([Ag]n4[n]1c(cc4C(C)(C)C)C(C(C(F)(F)F)(F)F)(F)F)c(cc3C(C)(C)C)C(C(C(F)(F)F)(F)F)(F)F)c(cc2C(C)(C)C)C(C(C(F)(F)F)(F)F)(F)F.c1(ccccc1)C
• Title of publication: Trinuclear Silver(I) Complexes of Fluorinated Pyrazolates
• Authors of publication: H. V. Rasika Dias; Chammi S. Palehepitiya Gamage; Jeremy Keltner; Himashinie V. K. Diyabalanage; Ivan Omari; Yvonne Eyobo; Nadeeka R. Dias; Nathan Roehr; Lesly McKinney; Theresa Poth
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 2979 - 2987
• a: 15.4624 ± 0.0008 Å
• b: 25.0706 ± 0.0013 Å
• c: 12.3999 ± 0.0006 Å
• α: 90°
• β: 107.197 ± 0.001°
• γ: 90°
• Cell volume: 4591.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0248
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No