Information card for entry 1505164

Structure parameters

• Common name: Ni(II)_bis(methoxybenzylphenyl_benzimidazole)
• Chemical name: Bis[1-(2-methoxybenzyl)-2-(2-methoxyphenyl)-1H-benzimidazole]nickel(II)dibromide
• Formula: C44 H40 Br2 N4 Ni O4
• Calculated formula: C44 H40 Br2 N4 Ni O4
• SMILES: [Ni](Br)(Br)([n]1c2ccccc2n(c1c1ccccc1OC)Cc1ccccc1OC)[n]1c2ccccc2n(c1c1ccccc1OC)Cc1ccccc1OC
• Title of publication: Efficient Route for Cyclic Olefin Polymerization: Nonchelated Monodentate Benzimidazole Nickel(II) Complex Catalysts for Vinyl Polymerization of Norbornene
• Authors of publication: Tarte, Naresh H.; Cho, Hyun Yong; Woo, Seong Ihl
• Journal of publication: Macromolecules
• Year of publication: 2007
• Journal volume: 40
• Journal issue: 23
• Pages of publication: 8162
• a: 14.27 ± 0.003 Å
• b: 12.986 ± 0.002 Å
• c: 21.712 ± 0.003 Å
• α: 90°
• β: 102.302 ± 0.01°
• γ: 90°
• Cell volume: 3931.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.185
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.1607
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No