Information card for entry 4078070

Structure parameters

• Formula: C71 H57 B F10 O0 P2 Rh S
• Calculated formula: C71 H57 B F10 P2 Rh S
• Title of publication: Ruthenium and Rhodium Complexes of Thioether-Alkynylborates
• Authors of publication: Dahcheh, Fatme; Stephan, Douglas W.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3222
• a: 11.3327 ± 0.0004 Å
• b: 21.2938 ± 0.0007 Å
• c: 25.871 ± 0.001 Å
• α: 90°
• β: 98.809 ± 0.001°
• γ: 90°
• Cell volume: 6169.5 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• 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: 0.0751
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No