Information card for entry 4311019

Structure parameters

• Common name: holjs34
• Formula: C58 H82 Cl2 Fe2 N4
• Calculated formula: C58 H82 Cl2 Fe2 N4
• SMILES: CC1=CC(=[N](c2c(C(C)C)cccc2C(C)C)[Fe]2([Cl][Fe]3([Cl]2)N(c2c(cccc2C(C)C)C(C)C)C(=CC(C)=[N]3c2c(cccc2C(C)C)C(C)C)C)N1c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Low-Coordinate Iron(II) Amido Complexes of β-Diketiminates: Synthesis, Structure, and Reactivity
• Authors of publication: Nathan A. Eckert; Jeremy M. Smith; Rene J. Lachicotte; Patrick L. Holland
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3306 - 3321
• a: 22.873 ± 0.0015 Å
• b: 14.9341 ± 0.001 Å
• c: 16.3363 ± 0.0011 Å
• α: 90°
• β: 90.402 ± 0.001°
• γ: 90°
• Cell volume: 5580.1 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• 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: 0.0441
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0937
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No