Information card for entry 7033519

Structure parameters

• Formula: C27 H37 Cl Ga N5 O8
• Calculated formula: C27 H37 Cl Ga N5 O8
• SMILES: [Ga]12345[N](=Cc6c(O1)cccc6)CC[N]3(CC[NH]4C(OC)c1ccccc1O2)CCn1[n]5c(cc1C)C.Cl(=O)(=O)(=O)[O-].OC
• 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: 8.3515 ± 0.0002 Å
• b: 9.8243 ± 0.0003 Å
• c: 18.2097 ± 0.0005 Å
• α: 78.347 ± 0.001°
• β: 80.943 ± 0.001°
• γ: 86.333 ± 0.002°
• Cell volume: 1444.23 ± 0.07 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: 0.0746
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.973
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No