Information card for entry 7047020

Structure parameters

• Formula: C27 H29 N3
• Calculated formula: C27 H29 N3
• 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: 18.539 ± 0.002 Å
• b: 10.7159 ± 0.0014 Å
• c: 11.6654 ± 0.0015 Å
• α: 90°
• β: 96.77 ± 0.004°
• γ: 90°
• Cell volume: 2301.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• 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: 0.1592
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1244
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No