Information card for entry 7131917

Structure parameters

• Formula: C80 H68 Ag2 B2 N2
• Calculated formula: C80 H68 Ag2 B2 N2
• SMILES: [Ag]123N4B(C(=C(C(=C4c4ccccc4)c4ccccc4)c4ccccc4)c4ccccc4)[c]45c(cc(c[c]4(C)[Ag]35N3C(c4ccccc4)=C(C(c4ccccc4)=C(B3[c]31c(cc(c[c]23C)C)C)c1ccccc1)c1ccccc1)C)C.c1ccccc1
• Title of publication: Coinage metal complexes of BN analogues of m-terphenyl ligands
• Authors of publication: Lamprecht, Anna; Lindl, Felix; Endres, Lukas; Krummenacher, Ivo; Braunschweig, Holger
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 23.794 ± 0.009 Å
• b: 11.8362 ± 0.0017 Å
• c: 24.716 ± 0.009 Å
• α: 90°
• β: 118.253 ± 0.017°
• γ: 90°
• Cell volume: 6132 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0475
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No