Information card for entry 4341873

Structure parameters

• Formula: C94 H84 N2 Nd3 O31 P4
• Calculated formula: C93.94 H73.86 N1.98 Nd3 O30.99 P4
• Title of publication: Magnetism of Linear [Ln3](9+) Oxo-Bridged Clusters (Ln = Pr, Nd) Supported inside a [R3PR'](+) Phosphonium Coordination Material.
• Authors of publication: Waggoner, Nolan W.; Saccoccia, Beau; Ibarra, Ilich A.; Lynch, Vincent M.; Wood, Paul T.; Humphrey, Simon M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Pages of publication: 141203090646001
• a: 14.157 ± 0.003 Å
• b: 14.157 ± 0.003 Å
• c: 104.37 ± 0.03 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 18115 ± 8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.2229
• Weighted residual factors for all reflections included in the refinement: 0.2445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No