Information card for entry 4329030

Structure parameters

• Formula: C43 H55 Au N P Pt S2
• Calculated formula: C43 H55 Au N P Pt S2
• SMILES: [Pt]12([S]([Au][P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)c3c(S2)cccc3)c3c(ccc(c3)C(C)(C)C)c3[n]1ccc2c3cccc2
• 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: 11.9157 ± 0.0002 Å
• b: 12.0728 ± 0.0002 Å
• c: 14.8775 ± 0.0002 Å
• α: 79.1084 ± 0.0011°
• β: 85.5256 ± 0.0011°
• γ: 70.3669 ± 0.0012°
• Cell volume: 1979.24 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0279
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0503
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.332
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No