Information card for entry 4083030

Structure parameters

• Formula: C50 H66 Cl3 Fe2 Si6
• Calculated formula: C50 H66 Cl3 Fe2 Si6
• SMILES: C([Fe]123[Cl][Fe]3(C([Si](C)(C)c3ccccc3)([Si](C)(C)c3ccccc3)[Si](C)(C)c3ccccc3)([Cl]1)[Cl]2)([Si](C)(C)c1ccccc1)([Si](C)(C)c1ccccc1)[Si](C)(C)c1ccccc1
• Title of publication: Synthesis and Structural Characterization of a Dimeric Cobalt(I) Homoleptic Alkyl and an Iron(II) Alkyl Halide Complex
• Authors of publication: Zhao, Pei; Brown, Zachary; Fettinger, James C.; Grandjean, Fernande; Long, Gary J.; Power, Philip P.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 8
• Pages of publication: 1917
• a: 13.117 ± 0.0003 Å
• b: 13.117 ± 0.0003 Å
• c: 27.3137 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4069.87 ± 0.18 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No