Information card for entry 7127129

Structure parameters

• Formula: C37.6 H99.4 I8 N2 O29 Sm6
• Calculated formula: C37.6 H99.4 I8 N2 O29 Sm6
• Title of publication: Complete denitrification of nitrate and nitrite to N₂ gas by samarium(II) iodide.
• Authors of publication: Marks, Walker R.; Baumgardner, Douglas F.; Reinheimer, Eric W.; Gilbertson, John D.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 77
• Pages of publication: 11441 - 11444
• a: 14.2715 ± 0.0004 Å
• b: 22.8583 ± 0.0006 Å
• c: 14.2693 ± 0.0003 Å
• α: 90°
• β: 90.739 ± 0.002°
• γ: 90°
• Cell volume: 4654.6 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0619
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.263
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No