Information card for entry 7003569

Structure parameters

• Formula: C14 H20 F2 K N O4
• Calculated formula: C14 H20 F2 K N O4
• SMILES: [K+].Fc1c([NH-])c(F)ccc1.O1CCOCC1.O1CCOCC1
• Title of publication: Synthesis and structural variations of substituted phenylamide complexes of the heavy alkaline earth metals calcium, strontium and barium
• Authors of publication: Gärtner, Martin; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1574 - 1582
• a: 10.862 ± 0.0003 Å
• b: 12.3064 ± 0.0005 Å
• c: 12.4436 ± 0.0004 Å
• α: 90°
• β: 96.024 ± 0.002°
• γ: 90°
• Cell volume: 1654.18 ± 0.1 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1299
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No