Information card for entry 4088069

Structure parameters

• Formula: C20 H39 Cl2 Co N4 O2
• Calculated formula: C20 H39 Cl2 Co N4 O2
• SMILES: [Co]123(Cl)([NH]4CCC[NH]1CC[NH]3CCC[NH]2CC4)C#CC(=C(C)C)C#C.[Cl-].OC.OC
• Title of publication: Cobalt(III) Bridged by gem-DEE: Facile Access to a New Type of Cross-Conjugated Organometallics
• Authors of publication: Natoli, Sean N.; Cook, Timothy D.; Abraham, Tara R.; Kiernicki, John J.; Fanwick, Phillip E.; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 21
• Pages of publication: 5207
• a: 10.6098 ± 0.0005 Å
• b: 17.5811 ± 0.0006 Å
• c: 12.7469 ± 0.0004 Å
• α: 90°
• β: 96.791 ± 0.002°
• γ: 90°
• Cell volume: 2361.02 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0886
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1825
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No