Information card for entry 4077894

Structure parameters

• Formula: C42 H34 F12 N10 O12 Rh2 S4
• Calculated formula: C42 H34 F12 N10 O12 Rh2 S4
• SMILES: [Rh]12([Rh]34([n]5ccccc5c5[n]3c(ccc5)c3[n]4cccc3)([N]#CC)[N]#CC)([n]3ccccc3c3[n]1c(ccc3)c1[n]2cccc1)([N]#CC)[N]#CC.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Experimental Study of Reductive Elimination of H2from Rhodium Hydride Species
• Authors of publication: Inoki, Daisuke; Matsumoto, Takahiro; Nakai, Hidetaka; Ogo, Seiji
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 2996
• a: 11.757 ± 0.002 Å
• b: 40.153 ± 0.008 Å
• c: 11.907 ± 0.003 Å
• α: 90°
• β: 108.969 ± 0.003°
• γ: 90°
• Cell volume: 5315.8 ± 1.9 ų
• Cell temperature: 123.2 K
• Ambient diffraction temperature: 123.2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No