Information card for entry 7038130

Structure parameters

• Formula: C56 H42 Co2 N6 O6
• Calculated formula: C56 H42 Co2 N6 O6
• SMILES: [Co]123Oc4c(C=[N]3c3ccc(Oc5ccc([N]6[Co]7(Oc8c(C=6)cccc8)Oc6c(C=[N]7c7ccc(Oc8ccc([N]2=Cc2c(O1)cccc2)cc8)cc7)cccc6)cc5)cc3)cccc4.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: 10.563 ± 0.005 Å
• b: 13.972 ± 0.005 Å
• c: 18.013 ± 0.006 Å
• α: 67.788 ± 0.01°
• β: 76.918 ± 0.01°
• γ: 80.174 ± 0.011°
• Cell volume: 2386.6 ± 1.6 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: 0.0458
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No