Information card for entry 7249433

Structure parameters

• Formula: C31 H25 F3 Mn N4 O6 P S
• Calculated formula: C31 H25 F3 Mn N4 O6 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: 11.99461 ± 0.00014 Å
• b: 14.01447 ± 0.00015 Å
• c: 19.186 ± 0.0002 Å
• α: 90°
• β: 96.0115 ± 0.0011°
• γ: 90°
• Cell volume: 3207.39 ± 0.06 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No