Information card for entry 7706247

Structure parameters

• Formula: C20 H30 N10 O2
• Calculated formula: C20 H30 N10 O2
• Title of publication: Extreme condition high temperature and high pressure studies of the K-U-Mo-O system.
• Authors of publication: Murphy, Gabriel L.; Kegler, Philip; Klinkenberg, Martina; Wang, Shuao; Alekseev, Evgeny V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 44
• Pages of publication: 15843 - 15853
• a: 21.3977 ± 0.0011 Å
• b: 8.8037 ± 0.0003 Å
• c: 16.4131 ± 0.0009 Å
• α: 90°
• β: 129.973 ± 0.009°
• γ: 90°
• Cell volume: 2369.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.187
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No