Information card for entry 4343972

Structure parameters

• Formula: C44 H52 Au0.5 Ni0.5 O4 S4
• Calculated formula: C44 H52 Au0.505 Ni0.495 O4 S4
• Title of publication: Molecular Alloys of Neutral Gold/Nickel Dithiolene Complexes in Single-Component Semiconductors.
• Authors of publication: Mebrouk, Kenny; Kaddour, Wafa; Auban-Senzier, Pascale; Pasquier, Claude; Jeannin, Olivier; Camerel, Franck; Fourmigué, Marc
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7454 - 7460
• a: 9.3148 ± 0.0014 Å
• b: 13.918 ± 0.002 Å
• c: 18.489 ± 0.003 Å
• α: 105.319 ± 0.005°
• β: 99.699 ± 0.006°
• γ: 107.845 ± 0.006°
• Cell volume: 2117.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0929
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1846
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No