Information card for entry 4086483

Structure parameters

• Formula: C19 H30 Cl Co N4 O
• Calculated formula: C19 H30 Cl Co N4 O
• 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: 12.1962 ± 0.0006 Å
• b: 12.1069 ± 0.0005 Å
• c: 14.9841 ± 0.0007 Å
• α: 90°
• β: 107.902 ± 0.004°
• γ: 90°
• Cell volume: 2105.4 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• 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: 0.0608
• Residual factor for significantly intense reflections: 0.0547
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.1594
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No