Information card for entry 7708161

Structure parameters

• Formula: C6 H4 K2 N10 O10
• Calculated formula: C6 H4 K2 N10 O10
• Title of publication: Novel metal-organic frameworks assembled from the combination of polynitro-pyrazole and 5-nitroamine-1,2,4-oxadiazole: synthesis, structure and thermal properties.
• Authors of publication: Yang, Feng; Xu, Yuangang; Wang, Pengcheng; Lin, Qiuhan; Lu, Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 37
• Pages of publication: 12906 - 12912
• a: 10.3408 ± 0.0007 Å
• b: 18.3261 ± 0.0013 Å
• c: 8.4021 ± 0.0005 Å
• α: 90°
• β: 101.452 ± 0.002°
• γ: 90°
• Cell volume: 1560.55 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No