Information card for entry 4086752

Structure parameters

• Formula: C71 H120 Cl Co2 F3 N8 O7.88 S Si2
• Calculated formula: C71 H120 Cl Co2 F3 N8 O7.876 S Si2
• 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: 8.5624 ± 0.0003 Å
• b: 17.2059 ± 0.0005 Å
• c: 27.3475 ± 0.001 Å
• α: 90°
• β: 98.582 ± 0.002°
• γ: 90°
• Cell volume: 3983.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No