Information card for entry 7052064

Structure parameters

• Formula: C32.5 H33.5 Br2 Cl10.5 N4 Ni
• Calculated formula: C32.5 H33 Br2 Cl9.75 N4 Ni
• Title of publication: Factors affecting imine coordination in (iminoterpyridine)MX2 (M = Fe, Co, Ni, Zn): synthesis, structures, DFT calculations and ethylene oligomerisation studies
• Authors of publication: Yohan D. M. Champouret; Jean-Didier Maréchal; Rajinder K. Chaggar; John Fawcett; Kuldip Singh; Feliu Maseras; Gregory A. Solan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2007
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 75
• a: 33.824 ± 0.008 Å
• b: 10.759 ± 0.003 Å
• c: 23.446 ± 0.006 Å
• α: 90°
• β: 100.613 ± 0.004°
• γ: 90°
• Cell volume: 8386 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2232
• Residual factor for significantly intense reflections: 0.1088
• Weighted residual factors for significantly intense reflections: 0.2653
• Weighted residual factors for all reflections included in the refinement: 0.325
• Goodness-of-fit parameter for all reflections included in the refinement: 0.893
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No