Information card for entry 4338070

Structure parameters

• Formula: C67 H64 Ag B O P4
• Calculated formula: C67 H64 Ag B O P4
• SMILES: [Ag]12([P](C[B](C[P]1(c1ccccc1)c1ccccc1)(C[P]2(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1
• 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: 18.1124 ± 0.0006 Å
• b: 13.423 ± 0.0005 Å
• c: 24.1073 ± 0.0009 Å
• α: 90°
• β: 106.249 ± 0.001°
• γ: 90°
• Cell volume: 5626.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No