Information card for entry 7713658

Structure parameters

• Formula: C32 H42 B F4 Mn N2 O3 P2
• Calculated formula: C32 H42 B F4 Mn N2 O3 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: 19.8964 ± 0.0005 Å
• b: 19.8964 ± 0.0005 Å
• c: 8.112 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2781.04 ± 0.12 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No