Information card for entry 4073568

Structure parameters

• Formula: C32.5 H16 Cl N O12 Ru5 S2
• Calculated formula: C32.5 H15 Cl N O12 Ru5 S2
• Title of publication: New Ruthenium Carbonyl Clusters Containing Unusual μ5-Sulfido-, μ4-Benzyne-, and Thianthrene-Derived Ligands: Insertion of Ruthenium into the Thianthrene Ring by C−S Activation
• Authors of publication: Hassan, Mohammad R.; Kabir, Shariff E.; Nicholson, Brian K.; Nordlander, Ebbe; Uddin, Md. Nazim
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 18
• Pages of publication: 4627
• a: 18.2731 ± 0.0002 Å
• b: 11.7362 ± 0.0002 Å
• c: 17.7859 ± 0.0003 Å
• α: 90°
• β: 108.452 ± 0.001°
• γ: 90°
• Cell volume: 3618.21 ± 0.1 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 7
• 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: 0.0425
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No