Information card for entry 4308814

Structure parameters

• Common name: 00036aa
• Formula: C16 H24 Br Mg N O4
• Calculated formula: C16 H24 Br Mg N O4
• Title of publication: Structural Variability and Dynamics in Carboxylato- and Carbamatomagnesium Bromides. Relationship to the Carboxylate Shift
• Authors of publication: M. Tyler Caudle; William W. Brennessel; Victor G. Young
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3233 - 3240
• a: 9.3991 ± 0.0016 Å
• b: 9.8576 ± 0.0017 Å
• c: 11.5833 ± 0.0019 Å
• α: 72.152 ± 0.003°
• β: 87.777 ± 0.003°
• γ: 63.519 ± 0.003°
• Cell volume: 908.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0439
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No