Information card for entry 4120260

Structure parameters

• Formula: C20 H24 F5 N6 Nb O3
• Calculated formula: C20 H24 F5 N6 Nb O3
• Title of publication: Nonlinear Active Materials: An Illustration of Controllable Phase Matchability
• Authors of publication: Hongcheng Lu; Romain Gautier; Martin D. Donakowski; T.Thao Tran; Bryce W. Edwards; Juan C. Nino; P. Shiv Halasyamani; Zhengtang Liu; Kenneth R. Poeppelmeier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 11942 - 11950
• a: 7.2697 ± 0.0004 Å
• b: 9.0944 ± 0.0005 Å
• c: 9.758 ± 0.0005 Å
• α: 63.3821 ± 0.0022°
• β: 73.8095 ± 0.002°
• γ: 80.3976 ± 0.0023°
• Cell volume: 553.23 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No