Information card for entry 7054364

Structure parameters

• Formula: C48 H85 Co2 N18 O12 Ru
• Calculated formula: C48 H83 Co2 N18 O12 Ru
• SMILES: [Ru]123(C#[N][Co]456[N](CC[N]4(CC[N]5(C)C)CC[N]6(C)C)(C)C)(C#[N][Co]456[N](CC[N]5(C)C)(CC[N]4(C)C)CC[N]6(C)C)Oc4ccccc4C=[N]3CC[N]2=Cc2ccccc2O1.C(#N)C.C(#N)C.O=N(=O)[O-].O=N(=O)[O-].O=N(=O)[O-].N#CC.O
• Title of publication: Switching off the single-molecule magnet properties of the [CoII(Me6tren)(OH2)]2+module by complexation with trans-[RuIII(salen)(CN)2]−
• Authors of publication: Piñero Cruz, Dalice M.; Woodruff, Daniel N.; Jeon, Ie-Rang; Bhowmick, Indrani; Secu, Mihail; Hillard, Elizabeth A.; Dechambenoit, Pierre; Clérac, Rodolphe
• Journal of publication: New Journal of Chemistry
• Year of publication: 2014
• Journal volume: 38
• Journal issue: 8
• Pages of publication: 3443
• a: 19.577 ± 0.002 Å
• b: 33.296 ± 0.003 Å
• c: 9.372 ± 0.001 Å
• α: 90°
• β: 103.641 ± 0.003°
• γ: 90°
• Cell volume: 5936.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1568
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7054128
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No