Information card for entry 7122721

Structure parameters

• Formula: C116.75 H94.75 B2 Cl11.25 F8 N11 O5 Pd
• Calculated formula: C116.75 H94.75 B2 Cl11.25 F8 N11 O5 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: 17.7612 ± 0.0015 Å
• b: 25.045 ± 0.002 Å
• c: 26.647 ± 0.002 Å
• α: 90°
• β: 104.528 ± 0.002°
• γ: 90°
• Cell volume: 11474.4 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1862
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2121
• Weighted residual factors for all reflections included in the refinement: 0.2467
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No