Information card for entry 4076154

Structure parameters

• Formula: C54 H44 Au N P2
• Calculated formula: C54 H44 Au N P2
• SMILES: N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Au](C#Cc1ccc(cc1)C)C#Cc1ccc(cc1)C
• Title of publication: Gold(I) Complexes Derived from C6Me3(C⋮CH)3-1,3,5, C6Me4(C⋮CH)2-1,4, and MeC6H4C⋮CH-4§
• Authors of publication: Vicente, José; Chicote, María-Teresa; Alvarez-Falcón, Miguel M.; Jones, Peter G.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 5956
• a: 17.5277 ± 0.0012 Å
• b: 17.6004 ± 0.0012 Å
• c: 15.3303 ± 0.0011 Å
• α: 90°
• β: 115.354 ± 0.004°
• γ: 90°
• Cell volume: 4273.8 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No