Information card for entry 7104106

Structure parameters

• Formula: C32.75 H40 Fe N2
• Calculated formula: C32.75 H38 Fe N2
• Title of publication: A stable crystalline N-heterocyclic carbene with a 1,1'-ferrocenediyl backbone.
• Authors of publication: Siemeling, Ulrich; Färber, Christian; Bruhn, Clemens
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal volume: 34
• Journal issue: 1
• Pages of publication: 98 - 100
• a: 10.763 ± 0.003 Å
• b: 16.153 ± 0.005 Å
• c: 16.339 ± 0.005 Å
• α: 71.83 ± 0.02°
• β: 70.42 ± 0.02°
• γ: 81.36 ± 0.02°
• Cell volume: 2539.7 ± 1.2 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2322
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1453
• Weighted residual factors for all reflections included in the refinement: 0.2023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.737
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No