Information card for entry 4070580

Structure parameters

• Formula: C38 H39 Cl N5 O4 Pt Re S4
• Calculated formula: C38 H39 Cl N5 O4 Pt Re S4
• SMILES: [Pt]12([n]3c(c4cc(cc[n]14)C(C)(C)C)cc(C(C)(C)C)cc3)SC1=C(S2)SC(=C2c3cccc[n]3[Re](C#[O])(C#[O])(C#[O])(Cl)[n]3c2cccc3)S1.C(=O)N(C)C
• 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: 8.9503 ± 0.0017 Å
• b: 13.158 ± 0.003 Å
• c: 17.986 ± 0.003 Å
• α: 100.325 ± 0.003°
• β: 94.305 ± 0.003°
• γ: 98.211 ± 0.004°
• Cell volume: 2051.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0642
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No