Information card for entry 4340359

Structure parameters

• Formula: C65 H65 N7 O13 Zn2
• Calculated formula: C65 H65 N7 O13 Zn2
• SMILES: CN(C)C=O.CN(C)C=O.CN(C)C=O.COc1cccc2c1O[Zn]13[N](=C2)c2ccc(cc2)Oc2ccc(cc2)[N]2=Cc4cccc(c4O[Zn]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: 15.0884 ± 0.0006 Å
• b: 13.7579 ± 0.0006 Å
• c: 30.3069 ± 0.0013 Å
• α: 90°
• β: 92.14°
• γ: 90°
• Cell volume: 6286.9 ± 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: 0.1087
• Residual factor for significantly intense reflections: 0.0549
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1466
• Goodness-of-fit parameter for all reflections included in the refinement: 0.92
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No