Information card for entry 7704021

Structure parameters

• Chemical name: [Ph4P][Au(HOEt-tzdt)2]
• Formula: C34 H30 Au N2 O2 P S8
• Calculated formula: C34 H30 Au N2 O2 P S8
• Title of publication: Hydrogen bonding interactions in single component molecular conductors based on metal (Ni, Au) bis(dithiolene) complexes.
• Authors of publication: Hachem, Hadi; Bellec, Nathalie; Fourmigué, Marc; Lorcy, Dominique
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 18
• Pages of publication: 6056 - 6064
• a: 26.407 ± 0.002 Å
• b: 18.2569 ± 0.0015 Å
• c: 23.1623 ± 0.0019 Å
• α: 90°
• β: 98.355 ± 0.003°
• γ: 90°
• Cell volume: 11048.3 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1269
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.15
• Weighted residual factors for all reflections included in the refinement: 0.1931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No