Information card for entry 4322613

Structure parameters

• Formula: C19 H31 K O S
• Calculated formula: C19 H31 K O S
• SMILES: [K+].[S-]c1c(cc(cc1C(C)C)C(C)C)C(C)C.O1CCCC1
• Title of publication: Sodium and Potassium Triisopropylbenzenethiolates: Influence on Solid-State Structure by Metal and Donor
• Authors of publication: Ulrich Englich; Scott Chadwick; Karin Ruhlandt-Senge
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 283 - 293
• a: 11.9079 ± 0.0002 Å
• b: 14.7672 ± 0.0002 Å
• c: 24.0448 ± 0.0001 Å
• α: 90°
• β: 98.22 ± 0.001°
• γ: 90°
• Cell volume: 4184.75 ± 0.09 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.1324
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections: 0.1485
• Weighted residual factors for significantly intense reflections: 0.1328
• Goodness-of-fit parameter for all reflections: 1.122
• Goodness-of-fit parameter for significantly intense reflections: 1.271
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No