Information card for entry 7033616

Structure parameters

• Formula: C58 H64 N2 O Pt2 Ru2 S4
• Calculated formula: C58 H64 N2 O Pt2 Ru2 S4
• Title of publication: A unique class of neutral cyclometalated platinum(ii) complexes with π-bonded benzenedithiolate: synthesis, molecular structures and tuning of luminescence properties.
• Authors of publication: Sesolis, Hugo; Moussa, Jamal; Gontard, Geoffrey; Jutand, Anny; Gullo, Maria Pia; Barbieri, Andrea; Amouri, Hani
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 2973 - 2977
• a: 9.4042 ± 0.0003 Å
• b: 32.3818 ± 0.0012 Å
• c: 17.4083 ± 0.0006 Å
• α: 90°
• β: 95.707 ± 0.002°
• γ: 90°
• Cell volume: 5275 ± 0.3 ų
• Cell temperature: 200 ± 1 K
• Ambient diffraction temperature: 200 ± 1 K
• Number of distinct elements: 7
• 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: 0.0403
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No