Information card for entry 4318283

Structure parameters

• Common name: [(F10)NacNac]2Fe
• Formula: C34 H14 F20 Fe N4
• Calculated formula: C34 H14 F20 Fe N4
• SMILES: [Fe]12([N](=C(C=C(N1c1c(F)c(F)c(F)c(F)c1F)C)C)c1c(F)c(F)c(F)c(F)c1F)N(C(=CC(=[N]2c1c(F)c(F)c(F)c(F)c1F)C)C)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis and Characterization of Three-Coordinate and Related β-Diketiminate Derivatives of Manganese, Iron, and Cobalt
• Authors of publication: Arunashree Panda; Matthias Stender; Robert J. Wright; Marilyn M. Olmstead; Peter Klavins; Philip P. Power
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3909 - 3916
• a: 10.1625 ± 0.0004 Å
• b: 11.3316 ± 0.0004 Å
• c: 15.9244 ± 0.0006 Å
• α: 100.059 ± 0.001°
• β: 95.239 ± 0.001°
• γ: 110.038 ± 0.001°
• Cell volume: 1673.52 ± 0.11 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No