Information card for entry 7122722

Structure parameters

• Formula: C117.75 H99.5 B2 Cl6.75 F8 N13.75 O4 Pd
• Calculated formula: C117.75 H99.5 B2 Cl6.75 F8 N13.75 O4 Pd
• Title of publication: A Mono-Metallic Pd(II)-Cage Featuring Two Different Polar Binding Sites
• Authors of publication: Escobar, Luis; Villarón, David; Escudero, Eduardo Carmelo; Ballester, Pablo
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 14.3104 ± 0.0003 Å
• b: 18.5908 ± 0.0005 Å
• c: 23.172 ± 0.0005 Å
• α: 108.741 ± 0.002°
• β: 98.8957 ± 0.0018°
• γ: 102.553 ± 0.002°
• Cell volume: 5527.7 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0747
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No