Information card for entry 7047024

Structure parameters

• Formula: C33 H46 Fe N4 Si2
• Calculated formula: C33 H46 Fe N4 Si2
• Title of publication: Constructing reactive Fe and Co complexes from isolated picolyl-functionalized N-heterocyclic carbenes.
• Authors of publication: Liang, Qiuming; Liu, Nina Jiabao; Song, Datong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 29
• Pages of publication: 9889 - 9896
• a: 19.7886 ± 0.0013 Å
• b: 17.2735 ± 0.0011 Å
• c: 19.8837 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6796.6 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.0882
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No