Information card for entry 7002026

Structure parameters

• Common name: N,N'-diethyl-benzazolium-Fc
• Formula: C28 H28 B2 F8 Fe N4
• Calculated formula: C28 H28 B2 F8 Fe N4
• Title of publication: 1,1′-Bis(N-benzimidazolylidene)ferrocene: synthesis and study of a novel ditopic ligand and its transition metal complexes
• Authors of publication: Varnado Jr, C. Daniel; Lynch, Vincent M.; Bielawski, Christopher W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 35
• Pages of publication: 7253
• a: 28.853 ± 0.002 Å
• b: 9.4328 ± 0.0012 Å
• c: 20.816 ± 0.002 Å
• α: 90 ± 0.005°
• β: 98.506 ± 0.002°
• γ: 90 ± 0.005°
• Cell volume: 5603.1 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0605
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1592
• Goodness-of-fit parameter for all reflections included in the refinement: 1.452
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No