Information card for entry 7206727

Structure parameters

• Chemical name: potassium triphenylcyanoborate
• Formula: C19 H16 B K N O0.5
• Calculated formula: C19 H16 B K N O0.5
• SMILES: [B](C#N)(c1ccccc1)(c1ccccc1)c1ccccc1.[K+].O
• Title of publication: Crystal data behind efficient cesium recognition: triphenylcyanoborates of potassium, rubidium, and cesium
• Authors of publication: Nazarenko, Alexander Y.; Nemykin, Victor N.
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 21
• Pages of publication: 6352
• a: 17.1789 ± 0.0016 Å
• b: 17.1789 ± 0.0016 Å
• c: 11.4979 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3393.2 ± 0.5 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No