Information card for entry 4070578

Structure parameters

• Formula: C55 H42 Au2 Cl5 N2 O3 P2 Re S4
• Calculated formula: C55 H42 Au2 Cl5 N2 O3 P2 Re S4
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]1[Au]([P](c2ccccc2)(c2ccccc2)c2ccccc2)SC2=C1SC(S2)=C1c2cccc[n]2[Re](C#[O])(C#[O])(C#[O])([n]2ccccc12)Cl.C(Cl)Cl.C(Cl)Cl
• 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: 12.413 ± 0.002 Å
• b: 15.205 ± 0.003 Å
• c: 17.43 ± 0.003 Å
• α: 103.993 ± 0.004°
• β: 104.478 ± 0.004°
• γ: 99.802 ± 0.004°
• Cell volume: 2996.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1547
• Weighted residual factors for all reflections included in the refinement: 0.1675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No