Information card for entry 4319706

Structure parameters

• Common name: {NacNacGaO}2
• Formula: C58 H82 Ga2 N4 O2
• Calculated formula: C58 H82 Ga2 N4 O2
• SMILES: C1(=CC(C)=[N]([Ga]23(N1c1c(cccc1C(C)C)C(C)C)O[Ga]13([N](=C(C=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)O2)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: 13.7132 ± 0.0007 Å
• b: 13.7585 ± 0.0007 Å
• c: 14.223 ± 0.0007 Å
• α: 90°
• β: 107.278 ± 0.001°
• γ: 90°
• Cell volume: 2562.4 ± 0.2 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0736
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No