Information card for entry 4115306

Structure parameters

• Formula: C35 H18 Cl1.5 Fe
• Calculated formula: C35 H18 Cl1.5 Fe
• Title of publication: Synthesis and Explosive Decomposition of Organometallic Dehydro[18]annulenes: An Access to Carbon Nanostructures
• Authors of publication: Matthew Laskoski; Winfried Steffen; Jason G. M. Morton; Mark D. Smith; Uwe H. F. Bunz
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13814 - 13818
• a: 11.982 ± 0.001 Å
• b: 13.2987 ± 0.0011 Å
• c: 18.256 ± 0.0016 Å
• α: 69.471 ± 0.002°
• β: 79.704 ± 0.002°
• γ: 89.862 ± 0.002°
• Cell volume: 2674.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1586
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1703
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No