Information card for entry 1575728

Structure parameters

• Formula: C5 H5 I N O4 Re
• Calculated formula: C5 H5 I N O4 Re
• Title of publication: Matere bond identification in non-crystalline materials by using X-ray photoelectron spectroscopy.
• Authors of publication: Semyonov, Oleg; Antonkin, Nikita S.; Radzhabov, Amirbek D.; Pizzi, Andrea; Lo Iacono, Cristina; Guselnikova, Olga; Burguera, Sergi; Frontera, Antonio; Resnati, Giuseppe; Postnikov, Pavel S.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 40
• Pages of publication: 18928 - 18935
• a: 5.3101 ± 0.0013 Å
• b: 8.97 ± 0.002 Å
• c: 19.831 ± 0.005 Å
• α: 90°
• β: 91.42 ± 0.01°
• γ: 90°
• Cell volume: 944.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No