Information card for entry 7128069

Structure parameters

• Formula: C76 H55 B F24 Fe O P2 Ru
• Calculated formula: C76 H55 B F24 Fe O P2 Ru
• Title of publication: Synthesis of a diferrocenylvinylidene complex by migration of a ferrocenyl substituent.
• Authors of publication: Korb, Marcus; Moggach, Stephen A.; Low, Paul J.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 35
• Pages of publication: 4251 - 4254
• a: 15.6941 ± 0.0001 Å
• b: 16.9671 ± 0.0001 Å
• c: 17.0957 ± 0.0001 Å
• α: 103.166 ± 0.001°
• β: 114.272 ± 0.001°
• γ: 109.21 ± 0.001°
• Cell volume: 3553.32 ± 0.08 ų
• Cell temperature: 99.9 ± 0.5 K
• Ambient diffraction temperature: 99.9 ± 0.5 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: 0.0377
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0877
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No