Information card for entry 4333985

Structure parameters

• Formula: C54 H94 Co Na O6 Si4
• Calculated formula: C54 H94 Co Na O6 Si4
• SMILES: [c]12([cH]3[c]4([c]56[c]1([Co]17892346[cH]2[c]1([c]17cccc[c]81[c]29[Si](C)(C)C)[Si](C)(C)C)cccc5)[Si](C)(C)C)[Si](C)(C)C.C1CCC[O]1[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis of a Bis(indenyl) Co(I) Anion: A Reactive Source of a 14 Electron Indenyl Co(I) Equivalent
• Authors of publication: Fernando Hung-Low; Christopher A. Bradley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 2446 - 2457
• a: 11.4225 ± 0.0002 Å
• b: 14.8087 ± 0.0003 Å
• c: 18.6954 ± 0.0003 Å
• α: 70.642 ± 0.001°
• β: 84.366 ± 0.001°
• γ: 82.92 ± 0.001°
• Cell volume: 2955.29 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1203
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No