Information card for entry 7708420

Structure parameters

• Formula: C34 H41 F6 Fe N3 O2 P Pd Sb
• Calculated formula: C34 H41 F6 Fe N3 O2 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: 19.7508 ± 0.0006 Å
• b: 16.9406 ± 0.0006 Å
• c: 21.6364 ± 0.0008 Å
• α: 90°
• β: 94.266 ± 0.001°
• γ: 90°
• Cell volume: 7219.3 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0275
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0582
• Weighted residual factors for all reflections included in the refinement: 0.0605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No