Information card for entry 7711971

Structure parameters

• Formula: C16 H24 I4 N2 O2 Zn
• Calculated formula: C16 H24 I4 N2 O2 Zn
• Title of publication: Halogen engineering of organic-inorganic hybrid perovskites displaying nonlinear optical, fluorescence properties and phase transition.
• Authors of publication: Teri, Gele; Jia, Qiang-Qiang; Ni, Hao-Fei; Wang, Jun-Qin; Fu, Da-Wei; Guo, Qiang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 4
• Pages of publication: 1074 - 1081
• a: 11.33 ± 0.004 Å
• b: 8.298 ± 0.003 Å
• c: 27.754 ± 0.009 Å
• α: 90°
• β: 90.453 ± 0.006°
• γ: 90°
• Cell volume: 2609.2 ± 1.6 ų
• Cell temperature: 363 K
• Ambient diffraction temperature: 363 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No