Information card for entry 4311443

Structure parameters

• Common name: [Co(Tm)2]BF4. 0.5H2O . 0.25THF
• Formula: C25 H35 B3 Co F4 N12 O0.75 S6
• Calculated formula: C25.5 H32 B3 Co F4 N12 O S6
• Title of publication: Cobalt Half-Sandwich, Sandwich, and Mixed Sandwich Complexes with Soft Tripodal Ligands
• Authors of publication: Christopher A. Dodds; Mario-Alexander Lehmann; Jonathan F. Ojo; John Reglinski; Mark D. Spicer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4927 - 4934
• a: 34.0403 ± 0.0007 Å
• b: 12.8344 ± 0.0003 Å
• c: 19.2489 ± 0.0005 Å
• α: 90°
• β: 101.54 ± 0.001°
• γ: 90°
• Cell volume: 8239.6 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.086
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1488
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No