Information card for entry 2021228

Structure parameters

• Chemical name: Tetraethylammonium <i>fac</i>-tris(μ-2-methoxybenzenethiolato-κ^2^<i>S</i>:<i>S</i>)bis[tricarbonylrhenium(I)]
• Formula: C35 H41 N O9 Re2 S3
• Calculated formula: C35 H41 N O9 Re2 S3
• Title of publication: Synthesis of Re^I^ tricarbonyl complexes with various sulfur- and oxygen-donating ligands: crystal structures of two Re^I^ dinuclear structures bridged by S atoms
• Authors of publication: Nkoe, Pheello I.; Visser, Hendrik G.; Swart, Chantel; Brink, Alice; Schutte-Smith, Marietjie
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2018
• Journal volume: 74
• Journal issue: 10
• Pages of publication: 1116 - 1122
• a: 12.712 ± 0.0005 Å
• b: 17.105 ± 0.0006 Å
• c: 18.144 ± 0.001 Å
• α: 90°
• β: 91.47 ± 0.002°
• γ: 90°
• Cell volume: 3943.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0328
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0682
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes