Information card for entry 8107504

Structure parameters

• Formula: C6 H2 K N3 O7
• Calculated formula: C6 H2 K N3 O7
• Title of publication: Crystal structure of a polymorph of potassium picrate, C6H2KN3O7
• Authors of publication: Luo, Xinyao; Chen, Cuilian; Hu, Zunjian; Wang, Fei; Sun, Shanhu; Suo, Zhirong; Su, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 4
• Pages of publication: 593 - 594
• a: 4.1681 ± 0.0002 Å
• b: 10.6704 ± 0.0006 Å
• c: 10.2381 ± 0.0006 Å
• α: 90°
• β: 95.134 ± 0.002°
• γ: 90°
• Cell volume: 453.52 ± 0.04 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No