Information card for entry 7039520

Structure parameters

• Formula: C80 H88 K N8 O6 P4 Sm
• Calculated formula: C80 H88 K N8 O6 P4 Sm
• SMILES: c1ccccc1C1=[N]2N(C(=P1)c1ccccc1)[Sm]1342(N2C(=PC(=[N]12)c1ccccc1)c1ccccc1)(N1C(=PC(=[N]31)c1ccccc1)c1ccccc1)(N1C(=PC(=[N]41)c1ccccc1)c1ccccc1)[O]1CCCC1.C1CCC[O]1[K]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: 1,2,4-Diazaphospholide complexes of lanthanum(iii), cerium(iii), neodymium(iii), praseodymium(iii), and samarium(iii): synthesis, X-ray structural characterization, and magnetic susceptibility studies.
• Authors of publication: Zhao, Minggang; Wang, Lixia; Li, Pangpang; Ma, Jianping; Zheng, Wenjun
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 27
• Pages of publication: 11172 - 11181
• a: 22.6746 ± 0.001 Å
• b: 15.0764 ± 0.0005 Å
• c: 24.6405 ± 0.0011 Å
• α: 90°
• β: 106.253 ± 0.005°
• γ: 90°
• Cell volume: 8086.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1398
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1627
• Weighted residual factors for all reflections included in the refinement: 0.1963
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No