Information card for entry 7708414

Structure parameters

• Formula: C29 H34 Fe N3 O P
• Calculated formula: C29 H34 Fe N3 O P
• 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: 11.2137 ± 0.0006 Å
• b: 18.8589 ± 0.0011 Å
• c: 13.3837 ± 0.0007 Å
• α: 90°
• β: 113.5 ± 0.002°
• γ: 90°
• Cell volume: 2595.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.0341
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No