Information card for entry 7047215

Structure parameters

• Formula: C41 H52 N2 Pt S4
• Calculated formula: C41 H52 N2 Pt S4
• Title of publication: Anionic cyclometalated Pt(ii) and Pt(iv) complexes respectively bearing one or two 1,2-benzenedithiolate ligands.
• Authors of publication: Ionescu, Andreea; Godbert, Nicolas; Aiello, Iolinda; Ricciardi, Loredana; La Deda, Massimo; Crispini, Alessandra; Sicilia, Emilia; Ghedini, Mauro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11645 - 11657
• a: 10.456 ± 0.006 Å
• b: 22.287 ± 0.013 Å
• c: 18.723 ± 0.011 Å
• α: 90°
• β: 102.58 ± 0.03°
• γ: 90°
• Cell volume: 4258 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• 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: 0.0853
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No