Information card for entry 4085459

Structure parameters

• Formula: C24 H48 Cl4 Co2 N8
• Calculated formula: C24 H48 Cl4 Co2 N8
• SMILES: [Co]123(Cl)([NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4)C#CC#C[Co]123(Cl)[NH]4CC[NH]1CCC[NH]2CC[NH]3CCC4.[Cl-].[Cl-]
• Title of publication: Dimeric Complexes of CoIII(cyclam) with a Polyynediyl Bridge
• Authors of publication: Cook, Timothy D.; Natoli, Sean N.; Fanwick, Phillip E.; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 686
• a: 8.0203 ± 0.0003 Å
• b: 13.1933 ± 0.0007 Å
• c: 17.3828 ± 0.0009 Å
• α: 79.042 ± 0.004°
• β: 81.03 ± 0.003°
• γ: 72.313 ± 0.002°
• Cell volume: 1710.95 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No