Information card for entry 7109940

Structure parameters

• Formula: C50 H38 N2 P2 Pt
• Calculated formula: C50 H38 N2 P2 Pt
• SMILES: c1(ccccc1)[P](c1ccccc1)([Pt](C#Cc1ccncc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)C#Cc1ccncc1)c1ccccc1
• Title of publication: Assembly of a multilayer film and catalytic application in Suzuki cross-coupling reaction based on synergistic effects of a conjugated organometallic pyridyl Pt(C[triple bond, length as m-dash]C)2 moiety with palladium
• Authors of publication: Xing Li; Xiuhua Zhao; Jie Zhang; Yayun Zhao
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 10004
• a: 12.0599 ± 0.0012 Å
• b: 22.474 ± 0.002 Å
• c: 7.8012 ± 0.0008 Å
• α: 90°
• β: 101.598 ± 0.001°
• γ: 90°
• Cell volume: 2071.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0354
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for all reflections included in the refinement: 1.177
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No