Information card for entry 7033520

Structure parameters

• Formula: C26 H34 Cl4 Ga N5 O6
• Calculated formula: C26 H34 Cl4 Ga N5 O6
• SMILES: [Ga]12345Oc6ccccc6C[NH]2CC[N]3(CC[NH]4Cc2c(O1)cccc2)CCn1[n]5c(cc1C)C.ClC(Cl)Cl.Cl(=O)(=O)(=O)[O-]
• Title of publication: Chemical, radiochemical and biological studies of new gallium(iii) complexes with hexadentate chelators.
• Authors of publication: Silva, Francisco; Campello, Maria Paula C.; Gano, Lurdes; Fernandes, Célia; Santos, Isabel C.; Santos, Isabel; Ascenso, José R; João Ferreira, M; Paulo, António
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 7
• Pages of publication: 3342 - 3355
• a: 14.2384 ± 0.0005 Å
• b: 12.5399 ± 0.0004 Å
• c: 17.0528 ± 0.0006 Å
• α: 90°
• β: 98.761 ± 0.001°
• γ: 90°
• Cell volume: 3009.22 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0639
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No