Information card for entry 4343975

Structure parameters

• Formula: C20 H22 Cl3 In N4
• Calculated formula: C20 H22 Cl3 In N4
• SMILES: [In]1(Cl)(Cl)(Cl)([N](=C(C(=[N]1c1ccccc1)C)C)c1ccccc1)[N]#CC.N#CC
• 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: 14.0359 ± 0.0008 Å
• b: 15.5824 ± 0.0009 Å
• c: 20.8077 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4550.9 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0463
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No