Information card for entry 4087510

Structure parameters

• Formula: C61 H96 N P3 Pt
• Calculated formula: C61 H96 N P3 Pt
• SMILES: [Pt]12([P]3(C=C4N2C(CP1c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C)=CC=C4)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C3)(C)C)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• Title of publication: Catalytic Synthesis of an Unsymmetrical PNP-Pincer-Type Phosphaalkene Ligand
• Authors of publication: Taguchi, Hiro-omi; Chang, Yung-Hung; Takeuchi, Katsuhiko; Ozawa, Fumiyuki
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1589
• a: 17.281 ± 0.002 Å
• b: 11.8806 ± 0.0014 Å
• c: 28.514 ± 0.004 Å
• α: 90°
• β: 104.322 ± 0.002°
• γ: 90°
• Cell volume: 5672.2 ± 1.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• 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: 0.0512
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No