Information card for entry 4343974

Structure parameters

• Formula: C32 H32 Cl6 Ga2 N4
• Calculated formula: C32 H32 Cl6 Ga2 N4
• SMILES: [Ga]12(Cl)([N](=C(C)C(=[N]1c1ccccc1)C)c1ccccc1)(Cl)[N](=C(C(=[N]2c1ccccc1)C)C)c1ccccc1.[Ga](Cl)([Cl-])(Cl)Cl
• Title of publication: Synthesis and Characterization of α-Diimine Complexes of Group 13 Metals and Their Catalytic Activity toward the Epoxidation of Alkenes.
• Authors of publication: Koellner, Connor A.; Piro, Nicholas A.; Kassel, W. Scott; Goldsmith, Christian R.; Graves, Christopher R.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 15
• Pages of publication: 7139 - 7141
• a: 9.9797 ± 0.0002 Å
• b: 10.1045 ± 0.0002 Å
• c: 17.4938 ± 0.0004 Å
• α: 93.2436 ± 0.0012°
• β: 92.1777 ± 0.0012°
• γ: 101.19 ± 0.0012°
• Cell volume: 1725.6 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0301
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0577
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No