Information card for entry 4083031

Structure parameters

• Formula: C56 H80 Co2 Si6
• Calculated formula: C56 H80 Co2 Si6
• SMILES: [Co]123456C([Si](C)(C)c7ccccc7)([Si](C)(C)c7ccccc7)[Si](C)(C)[c]78[cH]9[Co]%10%11%127([cH]8[cH]%10[cH]%11[cH]9%12)C([Si](C)(C)c7ccccc7)([Si](C)(C)c7ccccc7)[Si](C)(C)[c]71[cH]2[cH]3[cH]4[cH]5[cH]67.CCCCCC
• 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: 14.5975 ± 0.0005 Å
• b: 20.7884 ± 0.0007 Å
• c: 18.9874 ± 0.0007 Å
• α: 90°
• β: 108.744 ± 0.002°
• γ: 90°
• Cell volume: 5456.3 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 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: 0.0403
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No