Information card for entry 2013636

Structure parameters

• Formula: C31 H39 B K N O6 S
• Calculated formula: C31 H39 B K N O6 S
• SMILES: c1(ccccc1)[B](c1ccccc1)(c1ccccc1)N=C=S.C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]6CC[O]1[K]23456
• Title of publication: The isothiocyanate complex of triphenylborane forms an unusual coordination polymer with [K(18-crown-6)]^+^, both in the solid state and in solution
• Authors of publication: Munro, Orde Q.; Pearson, Nicole
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: m407 - m412
• a: 11.0652 ± 0.0015 Å
• b: 11.7696 ± 0.0019 Å
• c: 24.424 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3180.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No