Information card for entry 4111401

Structure parameters

• Common name: (Pentamethylcyclopentadienyldicarbonyl)(ferrocenylborylene) (tricyclohexylphosphinobromopalladium)
• Chemical name: (Pentamethylcyclopentadienyldicarbonyl)(ferrocenylborylene) (tricyclohexylphosphinobromopalladium)
• Formula: C43.5 H61 B Br Fe2 O2 P Pd
• Calculated formula: C43.5 H61 B Br Fe2 O2 P Pd
• Title of publication: Heterodinuclear Bridged Borylene Complexes
• Authors of publication: Holger Braunschweig; Krzysztof Radacki; Daniela Rais; Fabian Seeler; Katharina Uttinger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 1386 - 1387
• a: 10.5992 ± 0.0013 Å
• b: 12.4799 ± 0.0016 Å
• c: 16.162 ± 0.002 Å
• α: 96.715 ± 0.002°
• β: 92.452 ± 0.002°
• γ: 93.815 ± 0.002°
• Cell volume: 2115.7 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No