Information card for entry 7703769

Structure parameters

• Formula: C84 H60 Br4 N4 Ni2 O2
• Calculated formula: C84 H60 Br4 N4 Ni2 O2
• Title of publication: Systematic studies on dibenzhydryl and pentiptycenyl substituted pyridine-imine nickel(ii) mediated ethylene polymerization.
• Authors of publication: Wang, Chaoqun; Zhang, Yuxing; Mu, Hongliang; Jian, Zhongbao
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 15
• Pages of publication: 4824 - 4833
• a: 10.9201 ± 0.0002 Å
• b: 22.8955 ± 0.0005 Å
• c: 14.1583 ± 0.0003 Å
• α: 90°
• β: 109.86 ± 0.001°
• γ: 90°
• Cell volume: 3329.34 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• 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: 0.0596
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1231
• Weighted residual factors for all reflections included in the refinement: 0.1371
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No