Information card for entry 4301824

Structure parameters

• Formula: C40 H44 Ba N4 O6 P2
• Calculated formula: C40 H44 Ba N4 O6 P2
• SMILES: [Ba]1234567(N8[N]1=C(P=C8c1ccccc1)c1ccccc1)(N1[N]2=C(P=C1c1ccccc1)c1ccccc1)[O]1CC[O]3CC[O]4CC[O]5CC[O]6CC[O]7CC1
• 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: 10.809 ± 0.004 Å
• b: 10.871 ± 0.004 Å
• c: 34.47 ± 0.012 Å
• α: 90°
• β: 95.712 ± 0.005°
• γ: 90°
• Cell volume: 4030 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No