Information card for entry 7101136

Structure parameters

• Formula: C36 H86 Mg2 N4 Na2 O2
• Calculated formula: C36 H86 Mg2 N4 Na2 O2
• SMILES: [Mg]1([O]([Na]2[N](C)(C)CC[N]2(C)C)(C(C)(C)C)[Mg]([O]1([Na]1[N](C)(C)CC[N]1(C)C)C(C)(C)C)(CCCC)CCCC)(CCCC)CCCC
• Title of publication: Crystallographic characterisation of binary alkali metal alkoxide magnesium bis(alkyl) mixtures: differential binding of Na+ and K+ to a common dinuclear diorganomagnesiate
• Authors of publication: Robert Mulvey; Nicholas D.R. Barnett; William Clegg; Alan R. Kennedy; Susan Weatherstone
• Journal of publication: Chemical Communications
• Year of publication: 2005
• Journal issue: 3
• a: 11.71 ± 0.003 Å
• b: 14.312 ± 0.003 Å
• c: 14.52 ± 0.004 Å
• α: 90°
• β: 101.787 ± 0.015°
• γ: 90°
• Cell volume: 2382.1 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1256
• Residual factor for significantly intense reflections: 0.0723
• Weighted residual factors for significantly intense reflections: 0.2105
• Weighted residual factors for all reflections included in the refinement: 0.2511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No