Information card for entry 7706939

Structure parameters

• Formula: C41 H51 Cl Fe O P2 Pd
• Calculated formula: C41 H51 Cl Fe O P2 Pd
• Title of publication: Cyclopalladation of a ferrocene acylphosphine and the reactivity of the C-H activated products.
• Authors of publication: Vosáhlo, Petr; Schulz, Jiří; Císařová, Ivana; Štěpnička, Petr
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 18
• Pages of publication: 6232 - 6244
• a: 10.4131 ± 0.0005 Å
• b: 13.2889 ± 0.0006 Å
• c: 13.9654 ± 0.0006 Å
• α: 98.02 ± 0.002°
• β: 96.468 ± 0.002°
• γ: 103.875 ± 0.002°
• Cell volume: 1836.19 ± 0.15 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No