Information card for entry 7049726

Structure parameters

• Formula: Cd2 Cs2 H4 I6 O2
• Calculated formula: Cd2 Cs2 H4 I6 O2
• Title of publication: Synthesis, crystal structures and nonlinear optical properties of β-RbCdI₃·H₂O and CsCdI₃·H₂O.
• Authors of publication: Wu, Qi; Liu, Xian; Xu, Siran; Pi, Hongbing; Han, Xue; Liu, Yang; Li, Yanjun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 20
• Pages of publication: 6787 - 6793
• a: 8.9666 ± 0.0007 Å
• b: 7.5492 ± 0.0006 Å
• c: 14.9311 ± 0.0012 Å
• α: 90°
• β: 90.428 ± 0.001°
• γ: 90°
• Cell volume: 1010.67 ± 0.14 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0663
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No