Information card for entry 4320300

Structure parameters

• Formula: C54 H44 B2 N12 Yb
• Calculated formula: C54 H44 B2 N12 Yb
• SMILES: [BH]12n3ccc(c4ccccc4)[n]3[Yb]34([n]5c(ccn5[BH](n5ccc(c6ccccc6)[n]35)n3ccc(c5ccccc5)[n]43)c3ccccc3)([n]3c(ccn23)c2ccccc2)[n]2n1ccc2c1ccccc1
• 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: 10.683 ± 0.003 Å
• b: 11.029 ± 0.003 Å
• c: 12.249 ± 0.003 Å
• α: 63.51 ± 0.02°
• β: 82.61 ± 0.02°
• γ: 66.58 ± 0.02°
• Cell volume: 1183.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for all reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.0587
• Goodness-of-fit parameter for all reflections: 1.073
• Goodness-of-fit parameter for significantly intense reflections: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No