Information card for entry 1557987

Structure parameters

• Formula: C33 H48 I N4 O P Pt
• Calculated formula: C33 H48 I N4 O P Pt
• SMILES: [Pt]12([n]3c(C[N]1(C)Cc1[n]2cccc1)ccc1ccc(OP(C(C)(C)C)C(C)(C)C)nc31)(C)(C)C.[I-].c1ccccc1
• 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: 24.4749 ± 0.0004 Å
• b: 22.6183 ± 0.0004 Å
• c: 12.7406 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7052.9 ± 0.2 ų
• Cell temperature: 95 ± 2 K
• Ambient diffraction temperature: 95 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.077
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No