Information card for entry 4070579

Structure parameters

• Formula: C32 H32 N4 Pt S4
• Calculated formula: C32 H32 N4 Pt S4
• SMILES: [Pt]12([n]3c(c4cc(C(C)(C)C)cc[n]14)cc(C(C)(C)C)cc3)SC1=C(S2)SC(=C(c2ccccn2)c2ccccn2)S1
• Title of publication: Syntheses, Structures, and Properties of Tricarbonyl Rhenium(I) Heteronuclear Complexes with a New Bridging Ligand Containing Coupled Bis(2-pyridyl) and 1,2-Dithiolene Units
• Authors of publication: Liu, Wei; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 1
• Pages of publication: 126
• a: 18.866 ± 0.005 Å
• b: 10.91 ± 0.003 Å
• c: 15.82 ± 0.004 Å
• α: 90°
• β: 104.639 ± 0.005°
• γ: 90°
• Cell volume: 3150.5 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0909
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1604
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No