Information card for entry 4302180

Structure parameters

• Formula: C70 H69 Al3 B F24 Rh
• Calculated formula: C70 H69 Al3 B F24 Rh
• SMILES: [Rh]123([Al]4567[c]8([c]4([c]5([c]6([c]78C)C)C)C)C)([Al]4567[c]8([c]7([c]6([c]5([c]48C)C)C)C)C)([Al]4567[c]8([c]7([c]6([c]5([c]48C)C)C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Syntheses and Crystal Structures of Ruthenium and Rhodium Olefin Complexes Containing GaCp*
• Authors of publication: Thomas Cadenbach; Christian Gemel; Timo Bollermann; Roland A. Fischer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 5021 - 5026
• a: 25.022 ± 0.006 Å
• b: 19.373 ± 0.005 Å
• c: 14.526 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7041 ± 3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 0.819
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No