Information card for entry 4114714

Structure parameters

• Formula: C21 H40 Fe P4
• Calculated formula: C21 H40 Fe P4
• SMILES: [Fe]12([P](C)(C)CC[P]1(C)C)([P](C)(C)CC[P]2(C)C)(C)C#Cc1ccccc1
• Title of publication: Acetylide-Bridged Organometallic Oligomers via the Photochemical Metathesis of Methyl-Iron(II) Complexes
• Authors of publication: Leslie D. Field; Anthony J. Turnbull; Peter Turner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 3692 - 3702
• a: 9.1079 ± 0.0006 Å
• b: 8.904 ± 0.0006 Å
• c: 30.985 ± 0.002 Å
• α: 90°
• β: 95.732 ± 0.001°
• γ: 90°
• Cell volume: 2500.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0825
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No