Information card for entry 4311024

Structure parameters

• Common name: holne53
• Formula: C37 H60 Cl Fe Li N2 O2
• Calculated formula: C37 H60 Cl Fe Li N2 O2
• SMILES: [Fe]12([Cl][Li]([O]2C(C)(C)C)[O](CC)CC)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(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: 11.5511 ± 0.001 Å
• b: 11.8987 ± 0.001 Å
• c: 16.4896 ± 0.0014 Å
• α: 94.699 ± 0.002°
• β: 106.354 ± 0.001°
• γ: 112.819 ± 0.001°
• Cell volume: 1957.1 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No