Information card for entry 4338071

Structure parameters

• Formula: C207 H146 B4 Cl6 F72 P12 Tl4
• Calculated formula: C207 H146 B4 Cl6 F72 P12 Tl4
• Title of publication: Syntheses of a Novel Fluorinated Trisphosphinoborate Ligand and Its Copper and Silver Complexes. Catalytic Activity toward Nitrene Transfer Reactions.
• Authors of publication: Arenas, Ismael; Fuentes, M Ángeles; Alvarez, Eleuterio; Díaz, Yolanda; Caballero, Ana; Castillón, Sergio; Pérez, Pedro J
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 8
• Pages of publication: 3991 - 3999
• a: 13.6917 ± 0.0011 Å
• b: 36.911 ± 0.003 Å
• c: 22.944 ± 0.002 Å
• α: 90°
• β: 101.431 ± 0.002°
• γ: 90°
• Cell volume: 11365.3 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No