Information card for entry 1101145

Structure parameters

• Formula: C36 H74 Ga N27 O40
• Calculated formula: C36 H74 Ga N27 O40
• SMILES: [Ga]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=C1N2C3N4C(=O)N5C3N1CN1C(=O)N3C6N(C(=O)N(C5)C16)CN1C(=O)N5C6N(C(=O)N(C3)C16)CN1C(=O)N3C6N(C(=O)N(C5)C16)CN1C(=O)N5C6N(C(=O)N(C3)C16)CN1C(=O)N(C3N(C(=O)N(C5)C13)C4)C2.N(=O)(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Synthesis and Crystal Structure of Unprecedented Oxo/Hydroxo-Bridged Polynuclear Gallium(III) Aqua Complexes
• Authors of publication: Gerasko, Olga A.; Mainicheva, Ekaterina A.; Naumov, Dmitry Yu.; Kuratieva, Natalia V.; Sokolov, Maxim N.; Fedin, Vladimir P.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 4133 - 4135
• a: 12.8081 ± 0.0004 Å
• b: 22.7793 ± 0.0008 Å
• c: 21.5383 ± 0.0006 Å
• α: 90°
• β: 93.278 ± 0.001°
• γ: 90°
• Cell volume: 6273.7 ± 0.3 ų
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No