Information card for entry 4101690

Structure parameters

• Formula: C130 H102.75 Cl3 F30 P11 Re2 S6
• Calculated formula: C127.5 H101.5 Cl2.5 F24 P10 Re2 S6
• Title of publication: Redox-regulated ethylene binding to a rhenium-thiolate complex.
• Authors of publication: Grapperhaus, Craig A.; Ouch, Kagna; Mashuta, Mark S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Journal issue: 1
• Pages of publication: 64 - 65
• a: 29.009 ± 0.018 Å
• b: 22.577 ± 0.018 Å
• c: 43.99 ± 0.03 Å
• α: 90°
• β: 96.182 ± 0.017°
• γ: 90°
• Cell volume: 28643 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0749
• Weighted residual factors for significantly intense reflections: 0.1843
• Weighted residual factors for all reflections included in the refinement: 0.1969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No