Information card for entry 4086484

Structure parameters

• Formula: C15 H29 Cl2 Co N4 O
• Calculated formula: C15 H29 Cl2 Co N4 O
• SMILES: [Co]123(Cl)([NH]4CCC[NH]1CC[NH]2CCC[NH]3CC4)C#CC#C.OC.[Cl-]
• 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: 24.824 ± 0.0007 Å
• b: 7.6391 ± 0.0002 Å
• c: 19.786 ± 0.0006 Å
• α: 90°
• β: 96.774 ± 0.001°
• γ: 90°
• Cell volume: 3725.89 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0934
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No