Information card for entry 4338903

Structure parameters

• Formula: C52 H64 Cl12 Mg4 N4 O14
• Calculated formula: C52 H64 Cl12 Mg4 N4 O14
• Title of publication: Synthesis, structure, and computational studies of the tetrameric magnesium imides [2,4,6-Cl3C6H2NMg.S]4 (S=1,4-dioxane and tetrahydrofuran).
• Authors of publication: Rood, Jeffrey A.; Noll, Bruce C.; Henderson, Kenneth W.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 18
• Pages of publication: 7259 - 7261
• a: 13.922 ± 0.003 Å
• b: 15.111 ± 0.003 Å
• c: 17.506 ± 0.004 Å
• α: 67.57 ± 0.03°
• β: 81.47 ± 0.03°
• γ: 73.71 ± 0.03°
• Cell volume: 3264 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No