Information card for entry 4328846

Structure parameters

• Common name: Sm
• Formula: C50 H114 N6 O23 P4 Sm2
• Calculated formula: C50 H114 N6 O23 P4 Sm2
• SMILES: C(C)(C)(C)P(C(C)(C)C)(C(C)(C)C)=[O][Sm]123(ON(=[O]1)=O)(ON(=[O]3)=O)(ON(=[O]2)=O)[O]=P(C(C)(C)C)(C(C)(C)C)C(C)(C)C.CCO
• Title of publication: Complexes of Lanthanide Nitrates with Tri Tert Butylphosphine Oxide
• Authors of publication: Allen Bowden; Simon J. Coles; Mateusz B. Pitak; Andrew W. G. Platt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 4379 - 4389
• a: 13.7793 ± 0.0003 Å
• b: 16.6562 ± 0.0004 Å
• c: 31.3629 ± 0.0007 Å
• α: 90°
• β: 93.25 ± 0.001°
• γ: 90°
• Cell volume: 7186.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0734
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.1179
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No