Information card for entry 4340358

Structure parameters

• Formula: C65 H65 Co2 N7 O13
• Calculated formula: C65 H65 Co2 N7 O13
• SMILES: CN(C)C=O.CN(C)C=O.CN(C)C=O.COc1cccc2c1O[Co]13[N](=C2)c2ccc(cc2)Oc2ccc(cc2)[N]2=Cc4cccc(c4O[Co]42[N](c2ccc(cc2)Oc2ccc(cc2)[N]1=Cc1c(c(ccc1)OC)O3)=Cc1cccc(c1O4)OC)OC
• Title of publication: Magnetic and luminescent binuclear double-stranded helicates.
• Authors of publication: Cucos, Paula; Tuna, Floriana; Sorace, Lorenzo; Matei, Iulia; Maxim, Catalin; Shova, Sergiu; Gheorghe, Ruxandra; Caneschi, Andrea; Hillebrand, Mihaela; Andruh, Marius
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 7738 - 7747
• a: 15.0569 ± 0.0007 Å
• b: 13.7433 ± 0.0006 Å
• c: 30.4285 ± 0.0017 Å
• α: 90°
• β: 92.452 ± 0.004°
• γ: 90°
• Cell volume: 6290.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1644
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0879
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 0.776
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No