Information card for entry 1518469

Structure parameters

• Formula: C21 H10 Au B Cl10 N6 Pb
• Calculated formula: C21 H10 Au B Cl10 N6 Pb
• SMILES: [Pb]12[n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3.[Au](c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl)c1c(c(c(c(c1Cl)Cl)Cl)Cl)Cl
• Title of publication: The gold(i)⋯lead(ii) interaction: a relativistic connection
• Authors of publication: Echeverría, Raquel; López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena
• Journal of publication: Chem. Sci.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 2022
• a: 8.5794 ± 0.0004 Å
• b: 13.7444 ± 0.001 Å
• c: 13.7913 ± 0.001 Å
• α: 110.805 ± 0.002°
• β: 93.371 ± 0.004°
• γ: 101.13 ± 0.004°
• Cell volume: 1477.17 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0628
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No