Information card for entry 4114156

Structure parameters

• Formula: C35 H32 Ga2 N2
• Calculated formula: C35 H32 Ga2 N2
• SMILES: [Ga]1(n2[n]([Ga]([C]31=CC=CC=C3)(c1ccccc1)c1ccccc1)c(cc2C)C)(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structure, Bridge-Terminal Exchange Kinetics, and Molecular Orbital Calculations of Pyrazolate-Bridged Digallium Complexes Containing Bridging Phenyl Groups
• Authors of publication: Chatu T. Sirimanne; John E. Knox; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 11152 - 11153
• a: 8.8324 ± 0.0007 Å
• b: 11.2524 ± 0.001 Å
• c: 16.4861 ± 0.0015 Å
• α: 91.53 ± 0.002°
• β: 95.381 ± 0.002°
• γ: 111.921 ± 0.002°
• Cell volume: 1509.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0401
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No