Information card for entry 7710390

Structure parameters

• Formula: C69 H66 Cl10 F6 N14 O6 P2 Pd S2
• Calculated formula: C67 H62 Cl6 F6 N14 O6 P2 Pd S2
• 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: 13.9015 ± 0.0001 Å
• b: 38.1339 ± 0.0004 Å
• c: 14.9542 ± 0.0002 Å
• α: 90°
• β: 98.185 ± 0.001°
• γ: 90°
• Cell volume: 7846.74 ± 0.15 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No