Information card for entry 7019257

Structure parameters

• Formula: C36 H44 Cl Ga N4
• Calculated formula: C36 H44 Cl Ga N4
• SMILES: c1cc[n]2[Ga]3([N](=Cc2c1)c1c(cccc1C(C)C)C(C)C)([N](=Cc1cccc[n]31)c1c(cccc1C(C)C)C(C)C)Cl
• Title of publication: A redox series of gallium(iii) complexes: ligand-based two-electron oxidation affords a gallium-thiolate complex.
• Authors of publication: Kowolik, Kristin; Shanmugam, Maheswaran; Myers, Thomas W.; Cates, Chelsea D.; Berben, Louise A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 26
• Pages of publication: 7969 - 7976
• a: 21.5436 ± 0.0005 Å
• b: 9.8702 ± 0.0002 Å
• c: 17.0142 ± 0.0004 Å
• α: 90°
• β: 113.844 ± 0.001°
• γ: 90°
• Cell volume: 3309.1 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0307
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.1489
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.464
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No