Information card for entry 7016025

Structure parameters

• Formula: C51.5 H60 Br2 N4 Ni O18
• Calculated formula: C51.5 H60 Br2 N4 Ni O18
• Title of publication: Dynamic behaviour attributed to chiral carbohydrate substituents of N-heterocyclic carbene ligands in square planar nickel complexes.
• Authors of publication: Shibata, Teppei; Ito, Satoru; Doe, Matsumi; Tanaka, Rika; Hashimoto, Hideki; Kinoshita, Isamu; Yano, Shigenobu; Nishioka, Takanori
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 25
• Pages of publication: 6778 - 6784
• a: 20.901 ± 0.0006 Å
• b: 23.3218 ± 0.0008 Å
• c: 23.7857 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11594.3 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0524
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.131
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoK_a
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No