Information card for entry 4319707

Structure parameters

• Common name: {NacNacGaS}2
• Formula: C58 H82 Ga2 N4 S2
• Calculated formula: C58 H82 Ga2 N4 S2
• SMILES: C1(=CC(C)=[N]([Ga]2(N1c1c(cccc1C(C)C)C(C)C)S[Ga]1([N](=C(C=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)S2)c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Dimeric Gallium Oxide and Sulfide Species Stabilized by a Sterically Encumbered β-Diketiminate Ligand
• Authors of publication: Ned J. Hardman; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 2474 - 2475
• a: 22.4257 ± 0.0009 Å
• b: 14.7953 ± 0.0006 Å
• c: 16.3518 ± 0.0006 Å
• α: 90°
• β: 90.368 ± 0.001°
• γ: 90°
• Cell volume: 5425.3 ± 0.4 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: 0.0903
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No