Information card for entry 4321397

Structure parameters

• Common name: 2a
• Chemical name: Nitronium Tetranitratogallate
• Formula: Ga N5 O14
• Calculated formula: Ga N5 O14
• SMILES: [N+](=O)=O.[Ga](ON(=O)=O)(ON(=O)=O)(ON(=O)=O)ON(=O)=O
• Title of publication: Crystal Structures of Nitronium Tetranitratogallate and Its Reversible Solid-State Phase Transition Mediated by Nonmerohedral Twinning
• Authors of publication: Daniel G. Colombo; Victor G. Young,; Wayne L. Gladfelter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4621 - 4624
• a: 9.5857 ± 0.0002 Å
• b: 5.9399 ± 0.0001 Å
• c: 8.9759 ± 0.0002 Å
• α: 90°
• β: 90.409 ± 0.001°
• γ: 90°
• Cell volume: 511.058 ± 0.018 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: I 1 2 1
• Hall space group symbol: I 2y
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections: 0.0992
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections: 1.021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No