Information card for entry 7006041

Structure parameters

• Common name: (H2B(3-(NO2)Pz)2)K
• Formula: C6 H6 B K N6 O4
• Calculated formula: C6 H6 B K N6 O4
• SMILES: [K+].n1(nc(N(=O)=O)cc1)[BH2]n1nc(N(=O)=O)cc1
• 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: 6.4667 ± 0.0002 Å
• b: 22.3304 ± 0.0008 Å
• c: 7.5362 ± 0.0003 Å
• α: 90°
• β: 90.073 ± 0.001°
• γ: 90°
• Cell volume: 1088.26 ± 0.07 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: 0.0256
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No