Information card for entry 4336869

Structure parameters

• Common name: {[4-Br-3,5-(CF3)2Pz]Ag}3
• Formula: C15 Ag3 Br3 F18 N6
• Calculated formula: C15 Ag3 Br3 F18 N6
• SMILES: [Ag]1n2[n]([Ag]n3[n]([Ag]n4[n]1c(c(Br)c4C(F)(F)F)C(F)(F)F)c(c(Br)c3C(F)(F)F)C(F)(F)F)c(c(Br)c2C(F)(F)F)C(F)(F)F
• Title of publication: Trinuclear Copper(I) and Silver(I) Adducts of 4-Chloro-3,5-bis(trifluoromethyl)pyrazolate and 4-Bromo-3,5-bis(trifluoromethyl)pyrazolate
• Authors of publication: Champika V. Hettiarachchi; Manal A. Rawashdeh-Omary; Daniel Korir; Jehan Kohistani; Muhammed Yousufuddin; H. V. Rasika Dias
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13576 - 13583
• a: 15.3955 ± 0.001 Å
• b: 14.0979 ± 0.0009 Å
• c: 23.9071 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5188.9 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0746
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No