Information card for entry 4083179

Structure parameters

• Formula: C32 H64 Cl4 Mg5 N4 O6
• Calculated formula: C32 H64 Cl4 Mg5 N4 O6
• SMILES: [Mg]123([Cl][Mg]4([Cl][Mg]5([Cl]1)([O]24[Mg]1(Cl)[N]2([Mg]4([O]6CCCC6)([N]1([N]5=C(C4)C)C(C)C)CC(=[N]32)C)C(C)C)[O]1CCCC1)([O]1CCCC1)[O]1CCCC1)[O]1CCCC1
• Title of publication: Reactions of Grignard Reagents with Nitrous Oxide
• Authors of publication: Tskhovrebov, Alexander G.; Solari, Euro; Scopelliti, Rosario; Severin, Kay
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 10
• Pages of publication: 2405
• a: 11.483 ± 0.002 Å
• b: 18.8942 ± 0.0015 Å
• c: 21.2253 ± 0.0017 Å
• α: 90°
• β: 100.705 ± 0.009°
• γ: 90°
• Cell volume: 4524.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0612
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No