Information card for entry 7023456

Structure parameters

• Formula: C5 H9 Ba N O7.5 P
• Calculated formula: C5 H9 Ba N O7.5 P
• Title of publication: Alkaline-earth metal phosphonocarboxylates: synthesis, structures, chirality, and luminescence properties.
• Authors of publication: Zima, Vítězslav; Raja, Duraisamy Senthil; Lee, Yu-Shan; Chang, Ting-Guang; Wu, Cheng-You; Hu, Chien-Chieh; Lee, Kueir-Rarn; Lai, Juin-Yih; Yeh, Jui-Ming; Lin, Chia-Her
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 43
• Pages of publication: 15332 - 15342
• a: 21.4194 ± 0.0014 Å
• b: 5.1337 ± 0.0003 Å
• c: 18.4721 ± 0.0011 Å
• α: 90°
• β: 101.377 ± 0.002°
• γ: 90°
• Cell volume: 1991.3 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0194
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0461
• Weighted residual factors for all reflections included in the refinement: 0.0466
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No