Information card for entry 1557988

Structure parameters

• Formula: C26 H39 Cl2 Cu2 N4 O P Pt
• Calculated formula: C26 H39 Cl2 Cu2 N4 O P Pt
• SMILES: [Pt]12([CuH]34[N](Cc5[n]3c3[n]2c(O[P]1(C(C)(C)C)C(C)(C)C)ccc3cc5)(C)Cc1[n]4cccc1)(C)C.[Cu](Cl)[Cl-]
• 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: 12.7739 ± 0.0002 Å
• b: 8.98822 ± 0.00013 Å
• c: 27.115 ± 0.0004 Å
• α: 90°
• β: 100.703 ± 0.0016°
• γ: 90°
• Cell volume: 3059.04 ± 0.08 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No