Information card for entry 7249429

Structure parameters

• Formula: C30 H25 Br N4 O3 P Re
• Calculated formula: C30 H25 Br N4 O3 P Re
• 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: 12.3314 ± 0.0002 Å
• b: 13.5371 ± 0.0002 Å
• c: 17.361 ± 0.0003 Å
• α: 90°
• β: 102.929 ± 0.001°
• γ: 90°
• Cell volume: 2824.62 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0719
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No