Information card for entry 7120991

Structure parameters

• Formula: C36 H20 Au3 B2 Br3 F12 N12 Pb
• Calculated formula: C36 H20 Au3 B2 Br3 F12 N12 Pb
• SMILES: [Au](c1c(Br)c(F)c(c(c1F)F)F)[n]1cccn1[BH](n1ccc[n]1[Au]c1c(c(c(c(c1Br)F)F)F)F)n1ccc[n]1[Au]c1c(c(c(c(c1Br)F)F)F)F.[BH]12n3[n]([Pb]([n]4n1ccc4)[n]1n2ccc1)ccc3
• Title of publication: Lead encapsulation by a golden clamp through multiple electrostatic, metallophilic, hydrogen bonding and weak interactions.
• Authors of publication: Echeverría, Raquel; López-de-Luzuriaga, José M; Monge, Miguel; Moreno, Sonia; Olmos, M. Elena; Rodríguez-Castillo, María
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 295 - 298
• a: 13.2426 ± 0.0002 Å
• b: 13.2426 ± 0.0002 Å
• c: 35.7164 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5424.31 ± 0.17 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 8
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No