Information card for entry 4082835

Structure parameters

• Formula: C24 H41 Cl4 Co N4 O Si
• Calculated formula: C24 H41 Cl4 Co N4 O Si
• SMILES: [Co]123([NH]4CCC[NH]1CC[NH]2CCC[NH]3CC4)(C#Cc1ccccc1)C#C[Si](C)(C)C.[Cl-].ClC(Cl)Cl.O
• Title of publication: Unsymmetric Mononuclear and Bridged Dinuclear CoIII(cyclam) Acetylides
• Authors of publication: Cook, Timothy D.; Fanwick, Phillip E.; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4621
• a: 9.4442 ± 0.0002 Å
• b: 26.1848 ± 0.0007 Å
• c: 12.848 ± 0.0003 Å
• α: 90°
• β: 97.641 ± 0.001°
• γ: 90°
• Cell volume: 3149.03 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0742
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1641
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No