Information card for entry 7715114

Structure parameters

• Chemical name: La18
• Formula: C356 H549 Cl7 La18 N30 O83
• Calculated formula: C320 H420 Cl7 La18 N18 O71
• Title of publication: Tandem templating strategies facilitate the assembly of calix[8]arene-supported Ln₁₈ clusters.
• Authors of publication: Jiao, Yushu; Sanz, Sergio; van Leusen, Jan; Gracia, David; Canaj, Angelos B.; Evangelisti, Marco; Brechin, Euan K.; Dalgarno, Scott J.; Kögerler, Paul
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 4624 - 4630
• a: 32.5846 ± 0.0004 Å
• b: 32.5846 ± 0.0004 Å
• c: 34.4461 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 31673.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0832
• Weighted residual factors for significantly intense reflections: 0.2445
• Weighted residual factors for all reflections included in the refinement: 0.3071
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No