Information card for entry 7127127

Structure parameters

• Formula: C28 H56 I6 O7 Sm2
• Calculated formula: C28 H56 I6 O7 Sm2
• 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: 12.8008 ± 0.0006 Å
• b: 12.0522 ± 0.0008 Å
• c: 28.7469 ± 0.0016 Å
• α: 90°
• β: 98.444 ± 0.005°
• γ: 90°
• Cell volume: 4386.9 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No