Information card for entry 7063947

Structure parameters

• Formula: C53 H56 B Cl5 F4 Fe2 N4 P2 Pd2
• Calculated formula: C53 H56 B Cl5 F4 Fe2 N4 P2 Pd2
• 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: 12.5908 ± 0.0004 Å
• b: 14.5638 ± 0.0005 Å
• c: 30.1278 ± 0.0009 Å
• α: 90°
• β: 93.969 ± 0.001°
• γ: 90°
• Cell volume: 5511.3 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0236
• Residual factor for significantly intense reflections: 0.0223
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No