Information card for entry 7039521

Structure parameters

• Formula: C64 H120 K N8 O6 P4 Sm
• Calculated formula: C64 H120 K N8 O6 P4 Sm
• SMILES: CC(C)(C)C1=[N]2N(C(=P1)C(C)(C)C)[Sm]1342(N2C(=PC(=[N]12)C(C)(C)C)C(C)(C)C)([N]1=C(C(C)(C)C)P=C(C(C)(C)C)N31)N1C(=PC(=[N]41)C(C)(C)C)C(C)(C)C.C1CCC[O]1[K]([O]1CCCC1)([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: 26.1247 ± 0.0009 Å
• b: 14.7156 ± 0.0004 Å
• c: 21.3571 ± 0.0007 Å
• α: 90°
• β: 109.538 ± 0.004°
• γ: 90°
• Cell volume: 7737.8 ± 0.5 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1433
• Weighted residual factors for all reflections included in the refinement: 0.1548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No