Information card for entry 4065643

Structure parameters

• Common name: 1.C3H6O
• Formula: C39 H32 Au O P
• Calculated formula: C39 H32 Au O P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1c2ccccc2cc2cc3ccccc3cc12.O=C(C)C
• Title of publication: Gold(I) and Platinum(II) Tetracenes and Tetracenyldiacetylides: Structural and Fluorescence Color Changes Induced by σ-Metalation
• Authors of publication: Nguyen, Minh-Hai; Yip, John H. K.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 11
• Pages of publication: 2422
• a: 7.6562 ± 0.0003 Å
• b: 21.018 ± 0.0009 Å
• c: 37.5754 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6046.6 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1302
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No