Information card for entry 7128929

Structure parameters

• Formula: C93.7 H86.8 N8 O6 P2 Pd4
• Calculated formula: C93.7 H86.8 N8 O6 P2 Pd4
• Title of publication: Construction of modular Pd/Cu multimetallic chains via ligand- and anion-controlled metal-metal interactions
• Authors of publication: Rivada Wheelaghan, Orestes; Deolka, Shubham; Govindarajan, Ramadoss; Khaskin, Eugene; Fayzullin, Robert R.; Pal, Shrinwantu; Khusnutdinova, Julia R.
• Journal of publication: Chemical Communications
• Year of publication: 2021
• a: 18.3023 ± 0.0003 Å
• b: 24.7637 ± 0.0003 Å
• c: 21.0668 ± 0.0004 Å
• α: 90°
• β: 99.1506 ± 0.0017°
• γ: 90°
• Cell volume: 9426.6 ± 0.3 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 6
• 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: 0.0935
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1932
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No