Information card for entry 7006042

Structure parameters

• Common name: (H2B(3-(CF3)Pz)2)K
• Formula: C8 H6 B F6 K N4
• Calculated formula: C8 H6 B F6 K N4
• SMILES: [K+].n1(nc(cc1)C(F)(F)F)[BH2]n1nc(cc1)C(F)(F)F
• Title of publication: Silver(I)-organophosphane complexes of electron withdrawing CF3- or NO2-substituted scorpionate ligands.
• Authors of publication: Pellei, Maura; Alidori, Simone; Papini, Grazia; Lobbia, Giancarlo Gioia; Gorden, John D.; Dias, H. V. Rasika; Santini, Carlo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 42
• Pages of publication: 4845 - 4853
• a: 11.28 ± 0.003 Å
• b: 5.983 ± 0.002 Å
• c: 19.165 ± 0.004 Å
• α: 90°
• β: 91.41 ± 0.02°
• γ: 90°
• Cell volume: 1293 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No