Information card for entry 1576011

Structure parameters

• Formula: C2 H9 Cl N O4 P Zn
• Calculated formula: C2 H9 Cl N O4 P Zn
• Title of publication: Significant enhancement in the birefringence of metal phosphite halides <i>via</i> the introduction of π-conjugated cations.
• Authors of publication: Tang, Ru-Ling; Yue Wang, ?; Lv, Yi-Lei; Miao, Bing-Wei; Liu, Wenlong; Guo, Sheng-Ping
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 46
• Pages of publication: 22021 - 22028
• a: 9.4598 ± 0.0006 Å
• b: 9.2763 ± 0.0006 Å
• c: 9.9121 ± 0.0006 Å
• α: 90°
• β: 113.432 ± 0.002°
• γ: 90°
• Cell volume: 798.08 ± 0.09 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0457
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No