Information card for entry 4070576

Structure parameters

• Formula: C25 H18 Br Cl6 N4 O3 Re S4
• Calculated formula: C25 H18 Br Cl6 N4 O3 Re S4
• SMILES: [Re]1(Br)([n]2ccccc2C(=C2SC(=C(S2)SCCC#N)SCCC#N)c2[n]1cccc2)(C#[O])(C#[O])C#[O].C(Cl)(Cl)Cl.C(Cl)(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: 17.761 ± 0.008 Å
• b: 10.191 ± 0.004 Å
• c: 22.264 ± 0.007 Å
• α: 90°
• β: 116.61 ± 0.03°
• γ: 90°
• Cell volume: 3603 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1567
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.2121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No