Information card for entry 7018171

Structure parameters

• Formula: C67 H52 Au3 B Cu F4 O6 P3
• Calculated formula: C67 H52 Au3 B Cu F3.34 O6 P3
• Title of publication: Luminescent heterometallic gold-copper alkynyl complexes stabilized by tridentate phosphine.
• Authors of publication: Shakirova, Julia R.; Grachova, Elena V.; Gurzhiy, Vladislav V.; Koshevoy, Igor O.; Melnikov, Alexei S.; Sizova, Olga V.; Tunik, Sergey P.; Laguna, Antonio
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 2941 - 2949
• a: 17.1354 ± 0.0007 Å
• b: 17.1354 ± 0.0007 Å
• c: 17.8646 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4542.7 ± 0.3 ų
• Cell temperature: 210 ± 2 K
• Ambient diffraction temperature: 210 ± 2 K
• Number of distinct elements: 8
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0469
• Goodness-of-fit parameter for all reflections included in the refinement: 0.791
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No