Information card for entry 2104539

Structure parameters

• Chemical name: Sodium (1,4,7,10-tetraacetato-1,4,7,10-tetra-azacyclododecane-N,N',N",N'",O,O') gallium(iii) pentahydrate
• Formula: C16 H34 Ga N4 Na O13
• Calculated formula: C16 H34 Ga N4 Na O13
• SMILES: C(C(=O)[O-])[N]12CC[N]34CC(O[Ga]5614[N](CC3)(CC(=O)[O-])CC[N]5(CC(=O)O6)CC2)=O.[Na+].O.O.O.O.O
• Title of publication: Space groups <i>P</i>1 and <i>Cc</i>: how are they doing?
• Authors of publication: Marsh, Richard E.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: 782 - 783
• a: 15.171 Å
• b: 14.962 Å
• c: 10.068 Å
• α: 90°
• β: 94.1°
• γ: 90°
• Cell volume: 2279.47 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No