Information card for entry 4086754

Structure parameters

• Formula: C40.44 H66.67 Co2 F12 N12.22 O12 S4
• Calculated formula: C40.444 H66.666 Co2 F12 N12.222 O12 S4
• Title of publication: A Synthetic Approach to Cross-Conjugated Organometallic Complexes Based on geminal-Diethynylethene and CoIII(cyclam)
• Authors of publication: Natoli, Sean N.; Azbell, Tyler J.; Fanwick, Phillip E.; Zeller, Matthias; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 20
• Pages of publication: 3594
• a: 13.1069 ± 0.0005 Å
• b: 14.6343 ± 0.0005 Å
• c: 17.323 ± 0.0006 Å
• α: 66.088 ± 0.003°
• β: 81.683 ± 0.003°
• γ: 87.985 ± 0.003°
• Cell volume: 3004.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0925
• Residual factor for significantly intense reflections: 0.0719
• Weighted residual factors for significantly intense reflections: 0.1708
• Weighted residual factors for all reflections included in the refinement: 0.1907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No