Information card for entry 7708425

Structure parameters

• Formula: C36 H43 F6 Fe N5 P Pd Sb
• Calculated formula: C36 H43 F6 Fe N5 P Pd Sb
• Title of publication: The protonation state governs the coordination of phosphinoferrocene guanidines
• Authors of publication: Ondrej, Barta; Cisarova, Ivana; Štěpnička, Petr
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 17.162 ± 0.0009 Å
• b: 20.7881 ± 0.001 Å
• c: 21.7424 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7756.9 ± 0.7 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 8
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0232
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0482
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No