Information card for entry 4086489

Structure parameters

• Formula: C38 H64 Cl4 Co2 N8 O4
• Calculated formula: C38 H64 Cl4 Co2 N8 O4
• Title of publication: CoIII(cyclam) Oligoynyls: Monomeric Oligoynyl Complexes and Dimeric Complexes with an Oligoyn-diyl Bridge
• Authors of publication: Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2016
• a: 7.9397 ± 0.0005 Å
• b: 14.8891 ± 0.0009 Å
• c: 19.9806 ± 0.001 Å
• α: 100.896 ± 0.004°
• β: 90.691 ± 0.004°
• γ: 92.012 ± 0.005°
• Cell volume: 2317.6 ± 0.2 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: 0.069
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No