Information card for entry 4301821

Structure parameters

• Formula: C36 H44 Ba N4 O4 P2 S4
• Calculated formula: C36 H44 Ba N4 O4 P2 S4
• Title of publication: 1,2,4-Diazaphospholide Complexes of Barium: Mechanism of Formation and Crystallographic Characterization
• Authors of publication: Chengfu Pi; Li Wan; Weiping Liu; Zaifu Pan; Haoyu Wu; Yunhua Wang; Wenjun Zheng; Linhong Weng; Zhenxia Chen; Limin Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2967 - 2975
• a: 15.236 ± 0.004 Å
• b: 15.236 ± 0.004 Å
• c: 18.958 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4401 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No