Information card for entry 4079707

Structure parameters

• Formula: C30 H29 Cl N P Pt
• Calculated formula: C30 H29 Cl N P Pt
• SMILES: [Pt]12(c3c(cccc3[C@H](C)[N]1(C)C)C=C(c1ccccc1)[P]2(c1ccccc1)c1ccccc1)Cl
• Title of publication: Reactivity of Cycloplatinated Amine Complexes: Intramolecular C‒C Bond Formation, C‒H Activation, and PPh2Migration in Coordinated Alkynylphosphines
• Authors of publication: Tan, Kien-Wee; Yang, Xiang-Yuan; Li, Yongxin; Huang, Yinhua; Pullarkat, Sumod A.; Leung, Pak-Hing
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8407
• a: 9.5284 ± 0.0003 Å
• b: 10.4146 ± 0.0004 Å
• c: 14.4364 ± 0.0005 Å
• α: 81.314 ± 0.001°
• β: 74.581 ± 0.001°
• γ: 66.956 ± 0.001°
• Cell volume: 1269.05 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No