Information card for entry 1557990

Structure parameters

• Formula: C42 H59 B Cu F4 N4 O4 P Pt
• Calculated formula: C42 H59 B Cu F4 N4 O4 P Pt
• Title of publication: Metal‒metal cooperative bond activation by heterobimetallic alkyl, aryl, and acetylide PtII/CuI complexes
• Authors of publication: Deolka, Shubham; Rivada-Wheelaghan, Orestes; Aristizábal, Sandra L.; Fayzullin, Robert R.; Pal, Shrinwantu; Nozaki, Kyoko; Khaskin, Eugene; Khusnutdinova, Julia R.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 5494 - 5502
• a: 11.34455 ± 0.00016 Å
• b: 12.7555 ± 0.0003 Å
• c: 15.58801 ± 0.00018 Å
• α: 97.0654 ± 0.0013°
• β: 96.2303 ± 0.001°
• γ: 94.2103 ± 0.0015°
• Cell volume: 2216.7 ± 0.07 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0573
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No