Information card for entry 1567998

Structure parameters

• Formula: C2 H2 I2 K2 O4 Pb
• Calculated formula: C2 H2 I2 K2 O4 Pb
• Title of publication: New lead-iodide formates with a strong second-harmonic generation response and suitable birefringence obtained by the substitution strategy.
• Authors of publication: Zhang, Xiang-Yu; Zhou, Zi-Qi; Bao, Wen-Xiu; Tang, Hong-Xin; Fu, Rui-Biao; Ma, Zu-Ju; Wu, Xin-Tao
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 136 - 142
• a: 5.8024 ± 0.0001 Å
• b: 6.774 ± 0.0002 Å
• c: 13.626 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 535.58 ± 0.02 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0193
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0465
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No