Information card for entry 7038133

Structure parameters

• Formula: C60 H52 N4 O10 Zn2
• Calculated formula: C60 H52 N4 O10 Zn2
• SMILES: c1cc2Oc3ccc([N]4=Cc5cccc(OCC)c5O[Zn]54[N](c4ccc(Oc6ccc([N]7[Zn]8([N](c1cc2)=Cc1c(O8)c(OCC)ccc1)Oc1c(C=7)cccc1OCC)cc6)cc4)=Cc1c(O5)c(OCC)ccc1)cc3
• Title of publication: Tetrahedral M(II) based binuclear double-stranded helicates: single-ion-magnet and fluorescence behaviour.
• Authors of publication: Mondal, Amit Kumar; Parmar, Vijay Singh; Biswas, Soumava; Konar, Sanjit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4548 - 4557
• a: 23.8383 ± 0.0008 Å
• b: 13.1878 ± 0.0005 Å
• c: 20.349 ± 0.0006 Å
• α: 90°
• β: 110.454 ± 0.002°
• γ: 90°
• Cell volume: 5993.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1363
• Weighted residual factors for all reflections included in the refinement: 0.1476
• Goodness-of-fit parameter for all reflections included in the refinement: 0.828
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No