Information card for entry 4084082

Structure parameters

• Chemical name: (ruthenocenylmethyl)triphenylphosphonium tetrafluoroborate dichloromethane solvate
• Formula: C29.5 H27 B Cl F4 P Ru
• Calculated formula: C29.5 H27 B Cl F4 P Ru
• Title of publication: The Ruthenocenylmethylium Cation: Isolation and Structures ofη5-Cyclopentadienyl-η6-fulvene-ruthenium(II) Salts
• Authors of publication: Barlow, Stephen; Cowley, Andrew; Green, Jennifer C.; Brunker, Tim J.; Hascall, Tony
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 25
• Pages of publication: 5351
• a: 33.0591 ± 0.0007 Å
• b: 12.5182 ± 0.0003 Å
• c: 13.7757 ± 0.0003 Å
• α: 90°
• β: 101.591 ± 0.001°
• γ: 90°
• Cell volume: 5584.7 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1121
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No