Information card for entry 8105985

Structure parameters

• Formula: C3 H1.24 Cl0.76 N4 O4
• Calculated formula: C3 H1.241 Cl0.759 N4 O4
• Title of publication: The crystal structure of the solid solution of 3,5-dinitropyrazole and 4-chlorine-3,5-dinitropyrazole, C3H1.24Cl0.76N4O4
• Authors of publication: Jianlong, Wang; Yunzhang, Liu; Lizhen, Chen; Zhihua, Li; Wanghua, Hu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1219 - 1220
• a: 11.3953 ± 0.0011 Å
• b: 5.9373 ± 0.0004 Å
• c: 9.7498 ± 0.0009 Å
• α: 90°
• β: 96.63 ± 0.004°
• γ: 90°
• Cell volume: 655.23 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0632
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No