Information card for entry 2020602

Structure parameters

• Chemical name: <i>catena</i>-Poly[potassium-[μ~2~-tetrakis(3-cyclopropyl-1<i>H</i>-pyrazol-1-yl)borato]]
• Formula: C24 H28 B K N8
• Calculated formula: C24 H28 B K N8
• SMILES: [B](n1ccc(C2CC2)n1)(n1ccc(C2CC2)n1)(n1ccc(C2CC2)n1)n1ccc(C2CC2)n1.[K+]
• Title of publication: The structures of two scorpionates: thallium tetrakis(3-phenyl-1<i>H</i>-pyrazol-1-yl)borate and potassium tetrakis(3-cyclopropyl-1<i>H</i>-pyrazol-1-yl)borate
• Authors of publication: Infantes, Lourdes; Claramunt, Rosa M.; Sanz, Dionisia; Alkorta, Ibon; Elguero, José
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 11
• Pages of publication: 819 - 825
• a: 19.547 ± 0.008 Å
• b: 8.391 ± 0.003 Å
• c: 17.153 ± 0.008 Å
• α: 90°
• β: 117.111 ± 0.012°
• γ: 90°
• Cell volume: 2504.3 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0944
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes