Information card for entry 4107423

Structure parameters

• Chemical name: tetramethyl-ethylenediamine-lithium-bis-ethylene-cyclopentadienyl-iron
• Formula: C15 H29 Fe Li N2
• Calculated formula: C15 H29 Fe Li N2
• SMILES: [CH2]12C[Fe]345671([cH]8[cH]5[cH]7[cH]6[cH]48)[CH2](C3)[Li]12[N](CC[N]1(C)C)(C)C
• Title of publication: A Cheap Metal for a "Noble" Task: Preparative and Mechanistic Aspects of Cycloisomerization and Cycloaddition Reactions Catalyzed by Low-Valent Iron Complexes
• Authors of publication: Alois Fürstner; Keisuke Majima; Rubén Martín; Helga Krause; Egmont Kattnig; Richard Goddard; Christian W. Lehmann
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 1992 - 2004
• a: 8.103 ± 0.0002 Å
• b: 9.4613 ± 0.0002 Å
• c: 11.1671 ± 0.0002 Å
• α: 94.945 ± 0.001°
• β: 98.755 ± 0.001°
• γ: 107.135 ± 0.001°
• Cell volume: 800.77 ± 0.03 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.0401
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0897
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No