Information card for entry 4306171

Structure parameters

• Formula: C20 H19 Cl4 Fe N9
• Calculated formula: C20 H19 Cl4 Fe N9
• SMILES: [Fe]1234(Cl)[n]5c(cccc5C(n5[n]3ccc5)n3[n]4ccc3)C(n3[n]1ccc3)n1[n]2ccc1.[Cl-].ClCCl
• Title of publication: First-Row Transition-Metal Complexes of a New Pentadentate Ligand, α,α,α',α'-Tetra(pyrazolyl)lutidine
• Authors of publication: Tyler J. Morin; Brian Bennett; Sergey V. Lindeman; James R. Gardinier
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7468 - 7470
• a: 10.4115 ± 0.0005 Å
• b: 19.241 ± 0.0009 Å
• c: 12.0005 ± 0.0006 Å
• α: 90°
• β: 90 ± 0.002°
• γ: 90°
• Cell volume: 2404 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0387
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No