Information card for entry 7012558

Structure parameters

• Formula: C54 H45 B Cl3 F4 Fe O P3 Ru
• Calculated formula: C54 H43 B Cl3 F4 Fe O P3 Ru
• Title of publication: Synthesis, structure and reactions of coordinatively unsaturated [RuCl(CO)(dppf)(PPh3)]BF4 where dppf is trans-spanning 1,1'-bis(diphenylphosphino)ferrocene
• Authors of publication: Kawano, Hiroyuki; Nishimura, Yoshimasa; Onishi, Masayoshi
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 9
• Pages of publication: 1808
• a: 15.684 ± 0.001 Å
• b: 14.74 ± 0.002 Å
• c: 22.685 ± 0.002 Å
• α: 90°
• β: 107.982 ± 0.001°
• γ: 90°
• Cell volume: 4988.2 ± 0.9 ų
• Cell temperature: 296.2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.1451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No