Information card for entry 4319396

Structure parameters

• Common name: Bis Tp* samarium pyridine tiolate
• Formula: C53 H66 B2 N13 S Sm
• Calculated formula: C53 H48 B2 N13 S Sm
• SMILES: [Sm]12345(Sc6[n]1cccc6)([n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]4c(cc1C)C)n1[n]5c(cc1C)C.c1ccccc1.c1ccccc1.c1ccccc1
• 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: 10.835 ± 0.003 Å
• b: 15.026 ± 0.004 Å
• c: 16.873 ± 0.004 Å
• α: 82.65 ± 0.02°
• β: 89.32 ± 0.02°
• γ: 86.61 ± 0.02°
• Cell volume: 2719.7 ± 1.2 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: 0.1809
• Residual factor for significantly intense reflections: 0.095
• Weighted residual factors for all reflections: 0.2372
• Weighted residual factors for significantly intense reflections: 0.1711
• Goodness-of-fit parameter for all reflections: 1.111
• Goodness-of-fit parameter for significantly intense reflections: 1.187
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No