Information card for entry 4337882

Structure parameters

• Formula: C20 H18 Ru2 S2
• Calculated formula: C20 H18 Ru2 S2
• Title of publication: Novel, Mercury-Free Synthetic Pathway for Trifluoromethylthio-Substituted Metallocenes.
• Authors of publication: Hess, Jeannine; Konatschnig, Sandro; Morard, Sandra; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Gasser, Gilles
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 7
• Pages of publication: 3662
• a: 20.051 ± 0.00019 Å
• b: 6.18822 ± 0.00006 Å
• c: 14.8462 ± 0.00014 Å
• α: 90°
• β: 105.361 ± 0.001°
• γ: 90°
• Cell volume: 1776.31 ± 0.03 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• 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: 0.0218
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No