Information card for entry 2016623

Structure parameters

• Common name: Potassium dihydrobis(pyrazol-1-yl)borate
• Chemical name: Poly[[μ~4~-dihydrobis(pyrazol-1-yl)borato-κ^2^<i>N</i>,<i>N</i>']potassium(I)]
• Formula: C6 H8 B K N4
• Calculated formula: C6 H8 B K N4
• SMILES: c1nn(cc1)[BH2]n1cccn1.[K+]
• Title of publication: Polymeric [dihydrobis(pyrazol-1-yl)borato]potassium(I) and three dihydrobis(pyrazol-1-yl)borate‒magnesium(I) compounds obtained by disproportionation of the Grignard reagent
• Authors of publication: Loroño-Gonzalez, D. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: m228 - m232
• a: 17.167 ± 0.003 Å
• b: 5.843 ± 0.004 Å
• c: 8.754 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 878.1 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes