Information card for entry 4071460

Structure parameters

• Formula: C28 H29 Cl4 N2 O7 Re S4
• Calculated formula: C28 H29 Cl4 N2 O7 Re S4
• SMILES: [Re]1([n]2ccccc2/C(=C2\SC3=C(S2)SCCOCCOCCOCCOCCS3)c2[n]1cccc2)(C#[O])(C#[O])(C#[O])Cl.C(Cl)(Cl)Cl
• Title of publication: Rhenium(I) Tricarbonyl Complexes with New Pyridine Ligands Containing Crown Ether-Annelated or Anthracene-Functionalized 1,3-Dithiole-2-ylidene
• Authors of publication: Liu, Wei; Chen, Ya; Wang, Ru; Zhou, Xin-Hui; Zuo, Jing-Lin; You, Xiao-Zeng
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 2990
• a: 8.684 ± 0.003 Å
• b: 13.561 ± 0.005 Å
• c: 16.668 ± 0.006 Å
• α: 112.251 ± 0.005°
• β: 104.201 ± 0.005°
• γ: 91.12 ± 0.005°
• Cell volume: 1747.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.173
• Residual factor for significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.1315
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 0.798
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No