Information card for entry 4333950

Structure parameters

• Common name: [HB(3,4,5-(CF3)3Pz)]Ag(C2H4)
• Formula: C20 H5 Ag B F27 N6
• Calculated formula: C20 H5 Ag B F27 N6
• SMILES: [Ag]123([n]4n([BH](n5[n]1c(c(c5C(F)(F)F)C(F)(F)F)C(F)(F)F)n1[n]2c(c(c1C(F)(F)F)C(F)(F)F)C(F)(F)F)c(c(c4C(F)(F)F)C(F)(F)F)C(F)(F)F)[CH2]=[CH2]3
• Title of publication: Silver(I) and Copper(I) Adducts of a Tris(pyrazolyl)borate Decorated with Nine Trifluoromethyl Groups
• Authors of publication: Naleen B. Jayaratna; Igor I. Gerus; Roman V. Mironets; Pavel K. Mykhailiuk; Muhammed Yousufuddin; H. V. Rasika Dias
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1691 - 1693
• a: 17.004 ± 0.002 Å
• b: 10.08 ± 0.0012 Å
• c: 18.153 ± 0.002 Å
• α: 90°
• β: 109.344 ± 0.001°
• γ: 90°
• Cell volume: 2935.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1272
• Weighted residual factors for all reflections included in the refinement: 0.1339
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No