Information card for entry 4328852

Structure parameters

• Common name: Nd
• Formula: C28 H68 N3 Nd O14 P2
• Calculated formula: C28 H68 N3 Nd O14 P2
• SMILES: C(C)(C)(C)P(C(C)(C)C)(C(C)(C)C)=[O][Nd]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)[OH2].C(C)O.C(C)O
• 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: 17.2988 ± 0.0004 Å
• b: 14.2475 ± 0.0004 Å
• c: 17.4277 ± 0.0004 Å
• α: 90°
• β: 107.271 ± 0.001°
• γ: 90°
• Cell volume: 4101.64 ± 0.18 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0412
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No