Information card for entry 4319395

Structure parameters

• Common name: Bis Tp* samarium diethyldithiocarbamate
• Formula: C35 H54 B2 N13 S2 Sm
• Calculated formula: C35 H54 B2 N13 S2 Sm
• SMILES: [Sm]12345([n]6n([BH](n7[n]1c(C)cc7C)n1[n]2c(C)cc1C)c(cc6C)C)([n]1n([BH](n2[n]3c(C)cc2C)n2[n]4c(C)cc2C)c(cc1C)C)SC(=[S]5)N(CC)CC
• Title of publication: Solid-State Structure and Solution Behavior of Eight-Coordinate Sm(III) Poly(pyrazolyl)borate Compounds
• Authors of publication: Irene Lopes; Anna C. Hillier; Sung Ying Liu; Ângela Domingos; José Ascenso; Adelino Galvão; Andrea Sella; Noémia Marques
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1116 - 1125
• a: 11.459 ± 0.002 Å
• b: 12.787 ± 0.003 Å
• c: 15.062 ± 0.003 Å
• α: 84.19 ± 0.03°
• β: 82.14 ± 0.03°
• γ: 71.92 ± 0.03°
• Cell volume: 2074.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0514
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.1381
• Weighted residual factors for significantly intense reflections: 0.1181
• Goodness-of-fit parameter for all reflections: 1.014
• 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