Information card for entry 4329031

Structure parameters

• Formula: C62 H90 Au2 Cl3 N O4 P2 Pt S2
• Calculated formula: C62 H90 Au2 Cl3 N O4 P2 Pt S2
• Title of publication: Synthesis and Photophysical Properties of Cyclometalated Platinum(II) 1,2-Benzenedithiolate Complexes and Heterometallic Derivatives Obtained from the Addition of [Au(PCy3)]+ Units
• Authors of publication: Fabio Juliá; Peter G. Jones; Pablo González-Herrero
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5037 - 5049
• a: 24.0411 ± 0.0004 Å
• b: 11.0278 ± 0.0002 Å
• c: 24.6578 ± 0.0004 Å
• α: 90°
• β: 90.042 ± 0.003°
• γ: 90°
• Cell volume: 6537.29 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No