Information card for entry 4332234

Structure parameters

• Formula: C86 H128 Ca Ga2 N4 O4
• Calculated formula: C86 H128 Ca Ga2 N4 O4
• Title of publication: Synthesis, Structural Characterization, and Theoretical Studies of Complexes of Magnesium and Calcium with Gallium Heterocycles
• Authors of publication: Jones, Cameron; Mills, David P.; Platts, Jamie A.; Rose, Richard P.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3146 - 3148
• a: 15.745 ± 0.003 Å
• b: 23.629 ± 0.005 Å
• c: 24.238 ± 0.005 Å
• α: 110.87 ± 0.03°
• β: 96.54 ± 0.03°
• γ: 96.67 ± 0.03°
• Cell volume: 8251 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.1323
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No