Information card for entry 4077145

Structure parameters

• Formula: C45 H36 Au Cl P2
• Calculated formula: C45 H36 Au Cl P2
• SMILES: [Au](C#Cc1ccccc1)Cl.C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: New Ylide−, Alkynyl−, and Mixed Alkynyl/Ylide−Gold(I) Complexes
• Authors of publication: Vicente, José; Singhal, Anshu R.; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 26
• Pages of publication: 5887
• a: 16.7631 ± 0.0012 Å
• b: 15.732 ± 0.0011 Å
• c: 15.0215 ± 0.0011 Å
• α: 90°
• β: 111.1 ± 0.004°
• γ: 90°
• Cell volume: 3695.8 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0218
• Weighted residual factors for significantly intense reflections: 0.039
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No