Information card for entry 7120415

Structure parameters

• Chemical name: Pb2(NO3)2(H2O)F2
• Formula: F2 N2 O7 Pb2
• Calculated formula: F2 N2 O7 Pb2
• SMILES: [F]1[Pb]2[OH2][Pb]1[F]2.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: Collaborative Enhancement from Pb2+ and F- in Pb2(NO3)2(H2O)F2 Generates the Largest Second Harmonic Generation Effect Among Nitrates
• Authors of publication: Peng, Guang; Yang, Yi; Tang, Yu-Huan; Luo, Min; Yan, Tao; Zhou, Yuqiao; Lin, Chensheng; Lin, Zheshuai; Ye, Ning
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 5.1684 ± 0.0012 Å
• b: 15.051 ± 0.003 Å
• c: 4.9061 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 381.64 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 38
• Hermann-Mauguin space group symbol: A m m 2
• Hall space group symbol: A 2 -2
• Residual factor for all reflections: 0.0361
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No