Information card for entry 7023455

Structure parameters

• Formula: C5 H9 Ba2 N O11 P2
• Calculated formula: C5 H9 Ba2 N O11 P2
• 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: 5.4357 ± 0.0004 Å
• b: 9.0996 ± 0.0006 Å
• c: 27.1031 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1340.59 ± 0.16 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0169
• Residual factor for significantly intense reflections: 0.0166
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No