Information card for entry 7018169

Structure parameters

• Formula: C64 H43 Au3 B Cu F4 N3 P3
• Calculated formula: C64 H43 Au3 B Cu F4 N3 P3
• SMILES: [B](F)(F)(F)[F-].C12[P]([Au][C]3#[C](c4ccc(cc4)C#N)[Cu]345([C](#[C]4c3ccc(cc3)C#N)[Au][P]1(c1ccccc1)c1ccccc1)[C](#[C]5c1ccc(cc1)C#N)[Au][P]2(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 16.9942 ± 0.0007 Å
• b: 16.9942 ± 0.0007 Å
• c: 16.6654 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4168.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0427
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No