Information card for entry 7713659

Structure parameters

• Formula: C31 H42 B Cl F4 Fe N2 O2 P2
• Calculated formula: C31 H42 B Cl F4 Fe N2 O2 P2
• Title of publication: Base Metal Complexes featuring a New Pyrazole-Derived PCP-Pincer Ligand
• Authors of publication: Schratzberger, Heiko; Liebminger, Lorenzo A.; Stöger, Berthold; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 20.046 ± 0.003 Å
• b: 20.046 ± 0.003 Å
• c: 7.9727 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2774.5 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• Space group number: 152
• Hermann-Mauguin space group symbol: P 31 2 1
• Hall space group symbol: P 31 2"
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No