Information card for entry 7710389

Structure parameters

• Chemical name: [Pd2Zn2(1)4](OTf)8
• Formula: C150 H142 Cl12 F24 N34 O24 P4 Pd2 S8 Zn2
• Calculated formula: C147 H137 Cl10 F24 N33 O24 P4 Pd2 S8 Zn2
• Title of publication: Phosphorus guiding palladium: [4+4] metallomacrocyclic PdII complex and self-assembly of heterometallic PdII/ZnII grid-type complex
• Authors of publication: Clauss, Reike; Hey-Hawkins, Evamarie
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 18.2836 ± 0.0003 Å
• b: 25.6217 ± 0.0003 Å
• c: 39.2969 ± 0.0006 Å
• α: 90°
• β: 96.946 ± 0.001°
• γ: 90°
• Cell volume: 18273.8 ± 0.5 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 10
• 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: 0.1218
• Residual factor for significantly intense reflections: 0.0926
• Weighted residual factors for significantly intense reflections: 0.2468
• Weighted residual factors for all reflections included in the refinement: 0.2792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No