Information card for entry 4110128

Structure parameters

• Formula: C31 H42 Mg2 N2 O18
• Calculated formula: C30 H39 Mg2 O15
• Title of publication: Assembly of a Homochiral, Body-Centered Cubic Network Composed of Vertex-Shared Mg12 Cages: Use of Electrospray Ionization Mass Spectrometry to Monitor Metal Carboxylate Nucleation
• Authors of publication: Jeffrey A. Rood; William C. Boggess; Bruce C. Noll; Kenneth W. Henderson
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 13675 - 13682
• a: 19.8783 ± 0.0001 Å
• b: 19.8783 ± 0.0001 Å
• c: 19.8783 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7854.85 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 197
• Hermann-Mauguin space group symbol: I 2 3
• Hall space group symbol: I 2 2 3
• Residual factor for all reflections: 0.0578
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1694
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No