Information card for entry 7052066

Structure parameters

• Formula: C30 H31 Cl2 Fe N5
• Calculated formula: C30 H31 Cl2 Fe N5
• 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: 10.0666 ± 0.0012 Å
• b: 17.26 ± 0.002 Å
• c: 16.987 ± 0.002 Å
• α: 90°
• β: 96.542 ± 0.002°
• γ: 90°
• Cell volume: 2932.3 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0497
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No