Information card for entry 4081144

Structure parameters

• Common name: (IPr)(Cl)ZnFp
• Formula: C37 H48 Cl Fe N2 O2 Zn
• Calculated formula: C37 H48 Cl Fe N2 O2 Zn
• Title of publication: Heterobimetallic Complexes with Polar, Unsupported Cu‒Fe and Zn‒Fe Bonds Stabilized by N-Heterocyclic Carbenes
• Authors of publication: Jayarathne, Upul; Mazzacano, Thomas J.; Bagherzadeh, Sharareh; Mankad, Neal P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 14
• Pages of publication: 3986
• a: 10.5984 ± 0.0011 Å
• b: 16.2792 ± 0.0016 Å
• c: 20.528 ± 0.002 Å
• α: 90°
• β: 100.424 ± 0.001°
• γ: 90°
• Cell volume: 3483.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0453
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1046
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No