Information card for entry 4002944

Structure parameters

• Formula: H4 I Mo N O6
• Calculated formula: H4 I Mo N O6
• Title of publication: Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses
• Authors of publication: Li, Yahui; Han, Guopeng; Yu, Hongwei; Li, Hao; Yang, Zhihua; Pan, Shilie
• Journal of publication: Chemistry of Materials
• Year of publication: 2019
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 2992
• a: 7.789 ± 0.004 Å
• b: 10.221 ± 0.006 Å
• c: 7.344 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 584.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0292
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.06
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No