Information card for entry 4308815

Structure parameters

• Common name: 00038
• Formula: C80 H96 Br4 Mg4 N4 O15
• Calculated formula: C80 H96 Br4 Mg4 N4 O15
• 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: 13.186 ± 0.001 Å
• b: 13.981 ± 0.001 Å
• c: 23.562 ± 0.002 Å
• α: 97.387 ± 0.001°
• β: 92.529 ± 0.002°
• γ: 102.686 ± 0.001°
• Cell volume: 4190.8 ± 0.6 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: 0.0767
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No