Information card for entry 4337886

Structure parameters

• Formula: C10 H8 I2 Ru
• Calculated formula: C10 H8 I2 Ru
• SMILES: [Ru]12345678([c]9([cH]4[cH]3[cH]2[cH]19)I)[c]1([cH]5[cH]6[cH]7[cH]81)I
• 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: 8.6139 ± 0.0003 Å
• b: 15.6899 ± 0.0005 Å
• c: 17.6143 ± 0.0006 Å
• α: 112.155 ± 0.003°
• β: 91.782 ± 0.003°
• γ: 93.535 ± 0.003°
• Cell volume: 2196.83 ± 0.14 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0703
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No