Information card for entry 7710391

Structure parameters

• Formula: C43 H40 F12 N11 O12 P Pd2 S4
• Calculated formula: C39.75 H37 F8.25 N10 O8.25 P Pd2 S2.75
• 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: 23.1345 ± 0.0003 Å
• b: 19.3453 ± 0.0002 Å
• c: 50.1762 ± 0.0006 Å
• α: 90°
• β: 94.366 ± 0.001°
• γ: 90°
• Cell volume: 22390.9 ± 0.5 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No