Information card for entry 7134190

Structure parameters

• Formula: C17 H22 Cr F3 N2 O6 S
• Calculated formula: C19 H24 Cr F9 N2 O13 S3
• Title of publication: Identification of the Cr(V)O intermediate in electrocatalytic water oxidation by a chromium(III)-aqua complex.
• Authors of publication: Shen, Zhi-Kai; Li, Zi-Jian; Zou, Zhigang; Yu, Zhen-Tao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 16
• Pages of publication: 3387 - 3390
• a: 9.0515 ± 0.0005 Å
• b: 11.5963 ± 0.0007 Å
• c: 15.9542 ± 0.0009 Å
• α: 70.366 ± 0.002°
• β: 89.852 ± 0.002°
• γ: 81.103 ± 0.002°
• Cell volume: 1556.08 ± 0.16 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0872
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1068
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No