Information card for entry 4309532

Structure parameters

• Formula: C48 H46 Co2 N8 O9
• Calculated formula: C48 H46 Co2 N8 O9
• SMILES: [Co]123(Oc4c(C=[N]1[N]([Co]15678)=Cc9c(O1)cccc9)cccc4)(Oc1c(C=[N]2[N]5=Cc2c(O6)cccc2)cccc1)Oc1c(C=[N]3[N]7=Cc2c(O8)cccc2)cccc1.O=CN(C)C.O=CN(C)C.O
• Title of publication: Dinuclear Triple Helicates with Diazine Ligands: X-ray Structural, Electrochemical, and Magnetic Studies
• Authors of publication: Subramanya Gupta Sreerama; Samudranil Pal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 6299 - 6307
• a: 12.5167 ± 0.0008 Å
• b: 14.8098 ± 0.0009 Å
• c: 15.1124 ± 0.0009 Å
• α: 62.845 ± 0.001°
• β: 66.846 ± 0.001°
• γ: 65.94 ± 0.001°
• Cell volume: 2200.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1025
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 0.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No