Information card for entry 4320304

Structure parameters

• Formula: C64 H84 B3 N12 O2.5 Sm
• Calculated formula: C67.35 H64 B3 N12 Sm
• Title of publication: Synthesis and Structural Comparison of a Series of Divalent Ln(TpR,R')2 (Ln = Sm, Eu, Yb) and Trivalent Sm(TpMe2)2X (X = F, Cl, I, BPh4) Complexes
• Authors of publication: Anna C. Hillier; XingWang Zhang; Graham H. Maunder; Sung Ying Liu; Todd A. Eberspacher; Mathew V. Metz; Robert McDonald; Ângela Domingos; Noémia Marques; Victor W. Day; Andrea Sella; Josef Takats
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5106 - 5116
• a: 10.045 ± 0.002 Å
• b: 15.411 ± 0.003 Å
• c: 21.047 ± 0.004 Å
• α: 90.93 ± 0.02°
• β: 90.15 ± 0.02°
• γ: 98.46 ± 0.02°
• Cell volume: 3222.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.11
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for all reflections: 0.1319
• Weighted residual factors for significantly intense reflections: 0.1168
• Goodness-of-fit parameter for all reflections: 0.969
• Goodness-of-fit parameter for significantly intense reflections: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No