Information card for entry 7249434

Structure parameters

• Formula: C28 H25 F3 Mn0.5 N4 O4 P S
• Calculated formula: C28 H25 F3 Mn0.5 N4 O4 P S
• Title of publication: Group 7 carbonyl complexes of a PNN-heteroscorpionate ligand
• Authors of publication: Valdivieso, Jorge P.; Erickson, Alexander N.; Gardinier, James R.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 43
• Pages of publication: 31502 - 31516
• a: 9.3815 ± 0.0003 Å
• b: 12.9857 ± 0.0004 Å
• c: 13.075 ± 0.0005 Å
• α: 64.443 ± 0.003°
• β: 85.597 ± 0.003°
• γ: 88.991 ± 0.003°
• Cell volume: 1432.56 ± 0.09 ų
• Cell temperature: 99.9 ± 0.3 K
• Ambient diffraction temperature: 99.9 ± 0.3 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.034
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No