Information card for entry 4120259

Structure parameters

• Formula: C10 H10 F4 N3 Nb O
• Calculated formula: C10 H10 F4 N3 Nb O
• 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: 20.2084 ± 0.0005 Å
• b: 3.98043 ± 0.00009 Å
• c: 15.7991 ± 0.0004 Å
• α: 90°
• β: 109.387 ± 0.0013°
• γ: 90°
• Cell volume: 1198.79 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0222
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No