Information card for entry 4508233

Structure parameters

• Formula: C10 H12 F4 N2 O4 W Zn
• Calculated formula: C10 H12 F3.99 N2 O4.01 W Zn
• Title of publication: Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model
• Authors of publication: Gautier, Romain; Poeppelmeier, Kenneth R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 9
• Pages of publication: 4084
• a: 7.623 ± 0.0004 Å
• b: 14.4632 ± 0.0007 Å
• c: 12.6904 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1399.15 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0747
• Weighted residual factors for all reflections included in the refinement: 0.0774
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No