Information card for entry 4322614

Structure parameters

• Formula: C24 H46 K N3 S
• Calculated formula: C24 H46 K N3 S
• SMILES: [K]12[N](C)(C)CC[N]1(C)CC[N]2(C)C.[S-]c1c(cc(cc1C(C)C)C(C)C)C(C)C
• 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: 10.4903 ± 0.0002 Å
• b: 20.1551 ± 0.0005 Å
• c: 26.4295 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5588.07 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.146
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for all reflections: 0.1683
• Weighted residual factors for significantly intense reflections: 0.1432
• Goodness-of-fit parameter for all reflections: 1.006
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No