Information card for entry 1576012

Structure parameters

• Chemical name: a
• Formula: C5 H9 Cl2 N2 O3 P Zn
• Calculated formula: C5 H9 Cl2 N2 O3 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: 16.1039 ± 0.0008 Å
• b: 18.17 ± 0.001 Å
• c: 7.4568 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2181.9 ± 0.2 ų
• Cell temperature: 269 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0587
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No