Information card for entry 4079553

Structure parameters

• Common name: T-Pt-Ac
• Formula: C51 H66 P2 Pt Si
• Calculated formula: C51 H66 P2 Pt Si
• SMILES: [Pt]([P](CC)(CC)CC)([P](CC)(CC)CC)(C#Cc1c2ccccc2c(c2cc3ccccc3cc12)C#C[Si](C(C)C)(C(C)C)C(C)C)C#Cc1ccccc1
• Title of publication: Platinum-Conjugated Homo- and Heterobichromophoric Complexes of Tetracene and Pentacene
• Authors of publication: Nguyen, Minh-Hai; Yip, John H. K.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 21
• Pages of publication: 7522
• a: 9.68 ± 0.003 Å
• b: 16.35 ± 0.005 Å
• c: 17.323 ± 0.006 Å
• α: 62.204 ± 0.007°
• β: 78.902 ± 0.008°
• γ: 86.599 ± 0.008°
• Cell volume: 2378.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No