Information card for entry 4309533

Structure parameters

• Formula: C48 H46 Co2 N6 O8
• Calculated formula: C48 H42 Co2 N6 O8
• SMILES: c12ccccc1C(=[N]1[N]3=C(c4ccccc4O[Co]4563[N](=C(c3ccccc3O5)C)[N]3[Co]51(O2)([N](=C(c1c(cccc1)O5)C)[N]4=C(c1ccccc1O6)C)Oc1ccccc1C=3C)C)C.O.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: 14.282 ± 0.002 Å
• b: 14.282 ± 0.003 Å
• c: 37.451 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6616 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.2113
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2415
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No