Information card for entry 7019978

Structure parameters

• Formula: C12 H20 Fe I N12 O3
• Calculated formula: C12 H20 Fe I N12 O3
• Title of publication: Formation of stable iron/cobalt NHC complexes via unexpected ring opening and in situ generation of a tridentate ligand.
• Authors of publication: Wang, Gao-Feng; Song, Xiao-Jiao; Chen, Fei; Li, Yi-Zhi; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 36
• Pages of publication: 10919 - 10922
• a: 7.555 ± 0.003 Å
• b: 25.707 ± 0.011 Å
• c: 11.485 ± 0.005 Å
• α: 90°
• β: 93.827 ± 0.006°
• γ: 90°
• Cell volume: 2225.6 ± 1.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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: 0.0791
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No