Information card for entry 7019259

Structure parameters

• Formula: C41 H55 Ga N4 O S
• Calculated formula: C41 H55 Ga N4 O S
• SMILES: [Ga]12(SC)([N](=Cc3[n]1cccc3)c1c(cccc1C(C)C)C(C)C)[N](=Cc1[n]2cccc1)c1c(cccc1C(C)C)C(C)C.C1CCOC1
• 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: 11.6995 ± 0.001 Å
• b: 18.9938 ± 0.0017 Å
• c: 19.1287 ± 0.0014 Å
• α: 90°
• β: 114.022 ± 0.004°
• γ: 90°
• Cell volume: 3882.6 ± 0.6 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: 0.0835
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1296
• Weighted residual factors for all reflections included in the refinement: 0.1449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No