Information card for entry 7249431

Structure parameters

• Formula: C31.92 H27.77 F3 Mn N4.92 O5.08 P S
• Calculated formula: C31.924 H27.772 F3 Mn N4.924 O5.076 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: 16.4795 ± 0.0002 Å
• b: 12.8391 ± 0.0002 Å
• c: 16.5133 ± 0.0003 Å
• α: 90°
• β: 111.481 ± 0.0018°
• γ: 90°
• Cell volume: 3251.22 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0262
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No