Information card for entry 4306426

Structure parameters

• Formula: C58 H62 N6 O4 P3 Sm
• Calculated formula: C58 H62 N6 O4 P3 Sm
• SMILES: [Sm]123(N4[N]1=C(P=C4c1ccccc1)c1ccccc1)(N1[N]2=C(P=C1c1ccccc1)c1ccccc1)([N]1[N]3=C(P=C1c1ccccc1)c1ccccc1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• Title of publication: 1,2,4-Diazaphospholide Complexes of Samarium(III)
• Authors of publication: Chengfu Pi; Li Wan; Yingying Gu; Wenjun Zheng; Linhong Weng; Zhenxia Chen; Limin Wu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9739 - 9741
• a: 14.021 ± 0.005 Å
• b: 14.426 ± 0.005 Å
• c: 14.751 ± 0.005 Å
• α: 108.018 ± 0.004°
• β: 91.785 ± 0.005°
• γ: 97.355 ± 0.004°
• Cell volume: 2806 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0915
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No