Information card for entry 7041511

Structure parameters

• Formula: C42 H60 Ga O6
• Calculated formula: C42 H60 Ga O6
• SMILES: [Ga]123(Oc4c(O1)c(cc(c4)C(C)(C)C)C(C)(C)C)(Oc1cc(cc(c1O2)C(C)(C)C)C(C)(C)C)Oc1c(O3)c(cc(c1)C(C)(C)C)C(C)(C)C
• Title of publication: Structural and magnetic properties of semiquinonate based Al(iii) and Ga(iii) complexes.
• Authors of publication: Das, Chinmoy; Shukla, Pragya; Sorace, Lorenzo; Shanmugam, Maheswaran
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1439 - 1448
• a: 12.75 ± 0.0016 Å
• b: 13.1264 ± 0.0016 Å
• c: 13.4477 ± 0.0016 Å
• α: 76.352 ± 0.005°
• β: 77.706 ± 0.005°
• γ: 74.69 ± 0.005°
• Cell volume: 2082 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No