Information card for entry 7019258

Structure parameters

• Formula: C63.06 H97.41 Ga N4 Na O6.9
• Calculated formula: C63.055 H96.194 Ga N4 Na O6.9
• SMILES: C1c2cccc[n]2[Ga]2([n]3ccccc3C=[N]2c2c(C(C)C)cccc2C(C)C)[N]=1c1c(C(C)C)cccc1C(C)C.[O]1(CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.O1CCCC1
• 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: 17.7553 ± 0.0017 Å
• b: 15.5781 ± 0.0015 Å
• c: 23.043 ± 0.002 Å
• α: 90°
• β: 102.565 ± 0.006°
• γ: 90°
• Cell volume: 6220.9 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0597
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1461
• Weighted residual factors for all reflections included in the refinement: 0.1534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No