Information card for entry 7054127

Structure parameters

• Common name: compound_1
• Formula: C12 H32 Co N6 O7
• Calculated formula: C12 H32 Co N6 O7
• SMILES: O=N(=O)[O-].C1[N]([Co]23([N](CC[N]2(CC[N]3(C)C)C1)(C)C)[OH2])(C)C.O=N(=O)[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: 9.131 ± 0.003 Å
• b: 12.369 ± 0.004 Å
• c: 9.87 ± 0.004 Å
• α: 90°
• β: 117.337 ± 0.013°
• γ: 90°
• Cell volume: 990.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0615
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No