Information card for entry 7700689

Structure parameters

• Formula: C34 H54 B F4 Ir N4 O
• Calculated formula: C34 H54 B F4 Ir N4 O
• Title of publication: Cu(i), Ag(i), Ni(ii), Cr(iii) and Ir(i) complexes with tritopic N^imineC^NHCN^amine pincer ligands and catalytic ethylene oligomerization.
• Authors of publication: Ren, Xiaoyu; Wesolek, Marcel; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 34
• Pages of publication: 12895 - 12909
• a: 10.1636 ± 0.0005 Å
• b: 10.9789 ± 0.0005 Å
• c: 17.072 ± 0.0009 Å
• α: 107.661 ± 0.001°
• β: 92.208 ± 0.001°
• γ: 100.578 ± 0.001°
• Cell volume: 1775.3 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0297
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No