Information card for entry 4305120

Structure parameters

• Common name: [(3,5-(C3F7)2Tz)Cu]3.(Toluene)2
• Formula: C38 H16 Cu3 F42 N9
• Calculated formula: C38 H16 Cu3 F42 N9
• SMILES: [Cu]1n2[n]([Cu][n]3n([Cu][n]4n1c(C(F)(F)C(F)(F)C(F)(F)F)nc4C(F)(C(F)(F)C(F)(F)F)F)c(nc3C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)c(nc2C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.c1c(cccc1)C.c1(ccccc1)C
• Title of publication: Toluene-Sandwiched Trinuclear Copper(I) and Silver(I) Triazolates and Phosphine Adducts of Dinuclear Copper(I) and Silver(I) Triazolates
• Authors of publication: H. V. Rasika Dias; Shreeyukta Singh; Charles F. Campana
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 3943 - 3945
• a: 10.8162 ± 0.0009 Å
• b: 15.5131 ± 0.0013 Å
• c: 16.151 ± 0.0014 Å
• α: 86.128 ± 0.001°
• β: 78.97 ± 0.001°
• γ: 73.49 ± 0.001°
• Cell volume: 2550 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1429
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2049
• Weighted residual factors for all reflections included in the refinement: 0.2441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No