Information card for entry 4074591

Structure parameters

• Formula: C61.51 H53 B Fe O3 P Rh S
• Calculated formula: C61.5 H53 B Fe O3 P Rh S
• Title of publication: Synthesis of a Heterobimetallic Rhodium−Iron Complex Containing an η3-Interaction between Rhodium and the B−Cipso−CorthoUnit of a Triarylborane
• Authors of publication: Oakley, Simon R.; Parker, Kyle D.; Emslie, David J. H.; Vargas-Baca, Ignacio; Robertson, Craig M.; Harrington, Laura E.; Britten, James F.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 25
• Pages of publication: 5835
• a: 13.9568 ± 0.0009 Å
• b: 13.7903 ± 0.001 Å
• c: 27.7139 ± 0.0018 Å
• α: 90°
• β: 97.354 ± 0.004°
• γ: 90°
• Cell volume: 5290.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.2724
• Residual factor for significantly intense reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No