Information card for entry 7064074

Structure parameters

• Formula: C14 H11 I
• Calculated formula: C14 H11 I
• Title of publication: CuMoO4: a heterogeneous bimetallic nanocatalyst for the C–H activation of alkenes with iodoarenes
• Authors of publication: Behera, Papita; Dora, A. Smitarani; Rout, Laxmidhar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 43
• Pages of publication: 18692 - 18697
• a: 5.6125 ± 0.0002 Å
• b: 8.593 ± 0.0003 Å
• c: 12.7335 ± 0.0004 Å
• α: 90°
• β: 94.852 ± 0.004°
• γ: 90°
• Cell volume: 611.91 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0986
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No