Information card for entry 7038132

Structure parameters

• Formula: C57 H46 N6 O7 Zn2
• Calculated formula: C57 H46 N6 O7 Zn2
• SMILES: [Zn]123Oc4c(C=[N]2c2ccc(Oc5ccc([N]6[Zn]7(Oc8c(C=6)cccc8)Oc6c(C=[N]7c7ccc(Oc8ccc([N]3=Cc3c(O1)cccc3)cc8)cc7)cccc6)cc5)cc2)cccc4.OC.N#CC.N#CC
• 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: 14.061 ± 0.004 Å
• b: 14.295 ± 0.004 Å
• c: 14.799 ± 0.004 Å
• α: 70.968 ± 0.009°
• β: 65.639 ± 0.008°
• γ: 70.068 ± 0.009°
• Cell volume: 2487 ± 1.2 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1152
• Weighted residual factors for all reflections included in the refinement: 0.1317
• Goodness-of-fit parameter for all reflections included in the refinement: 0.945
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No