Information card for entry 4079914

Structure parameters

• Formula: C38 H56 Au2 F6 N6 O6 P2 S2
• Calculated formula: C38 H56 Au2 F6 N6 O6 P2 S2
• SMILES: C12N(N=C(c3ccccc3)N1CC)[P](C(C)(C)C)([Au]1[Au]=2[P](N2C=1N(C(c1ccccc1)=N2)CC)(C(C)(C)C)C(C)(C)C)C(C)(C)C.FC(F)(S(=O)(=O)[O-])F.FC(F)(F)S(=O)(=O)[O-]
• Title of publication: N-Phosphorylated Azolylidenes: Novel Ligands for Dinuclear Complexes of Coinage Metals
• Authors of publication: Marchenko, Anatoliy P.; Koidan, Heorgiy N.; Hurieva, Anastasiya N.; Gutov, Oleksii V.; Kostyuk, Aleksandr N.; Tubaro, Cristina; Lollo, Samira; Lanza, Arianna; Nestola, Fabrizio; Biffis, Andrea
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 718
• a: 14.6798 ± 0.0016 Å
• b: 16.706 ± 0.002 Å
• c: 20.104 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4930.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1736
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.1308
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No