Information card for entry 7128928

Structure parameters

• Formula: C30.5 H33 Cl6 Cu N3 O P Pd
• Calculated formula: C30.5 H33 Cl6 Cu N3 O P Pd
• 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: 20.5675 ± 0.0004 Å
• b: 16.21405 ± 0.00019 Å
• c: 21.6642 ± 0.0004 Å
• α: 90°
• β: 108.286 ± 0.002°
• γ: 90°
• Cell volume: 6859.8 ± 0.2 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 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: 0.0857
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for significantly intense reflections: 0.2324
• Weighted residual factors for all reflections included in the refinement: 0.2378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No