Information card for entry 7063942

Structure parameters

• Formula: C44 H42 B2 F8 Fe N2 P2 Pd
• Calculated formula: C44 H42 B2 F8 Fe N2 P2 Pd
• Title of publication: Synthesis and coordination behaviour of a protic phosphinoferrocene amidine
• Authors of publication: Leitner, Zdeněk; Císařová, Ivana; Kalbáčová Vejpravová, Jana; Štěpnička, Petr
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 15723 - 15735
• a: 18.2236 ± 0.0013 Å
• b: 18.5559 ± 0.0012 Å
• c: 22.2686 ± 0.0014 Å
• α: 65.785 ± 0.002°
• β: 71.268 ± 0.002°
• γ: 66.738 ± 0.002°
• Cell volume: 6194.5 ± 0.7 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0365
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No