Information card for entry 4084462

Structure parameters

• Formula: C29 H27 O2 P Pt
• Calculated formula: C29 H27 O2 P Pt
• SMILES: [Pt]12(OC(=CC(=[O]1)C)C)c1ccc3ccccc3c1[C@@H](C)[P]2(c1ccccc1)c1ccccc1
• Title of publication: Stereoelectronic and Catalytic Properties of Chiral Cyclometalated Phospha-palladium and -platinum Complexes
• Authors of publication: Jia, Yu-Xiang; Li, Bin-Bin; Li, Yongxin; Pullarkat, Sumod A.; Xu, Kai; Hirao, Hajime; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 21
• Pages of publication: 6053
• a: 12.5229 ± 0.0005 Å
• b: 13.2329 ± 0.0005 Å
• c: 14.4569 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2395.71 ± 0.16 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0218
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 0.938
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No