Information card for entry 4070649

Structure parameters

• Formula: C41 H29 Au N3 P
• Calculated formula: C41 H29 Au N3 P
• SMILES: [Au](C#Cc1ccc(cc1)c1cc(nc(c1)c1ncccc1)c1ncccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis of Luminescent Alkynyl Gold Metalaligands Containing 2,2′-Bipyridine-5-yl and 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups
• Authors of publication: Vicente, José; Gil-Rubio, Juan; Barquero, Natalia; Jones, Peter G.; Bautista, Delia
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 4
• Pages of publication: 646
• a: 8.6401 ± 0.0004 Å
• b: 9.4232 ± 0.0004 Å
• c: 19.5947 ± 0.0008 Å
• α: 85.165 ± 0.002°
• β: 86.406 ± 0.002°
• γ: 85.237 ± 0.002°
• Cell volume: 1581.69 ± 0.12 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: 0.0152
• Residual factor for significantly intense reflections: 0.0147
• Weighted residual factors for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No