Information card for entry 4348938

Structure parameters

• Formula: C30 H50 Co3 N6 O12 S2
• Calculated formula: C30 H50 Co3 N6 O12 S2
• SMILES: c1cccc2C[N]34CC[O]5[Co]64([n]12)(N=C=S)[O](CC3)[Co]125([O]=C(O6)C)[O]3CC[N]45Cc6cccc[n]6[Co]34(N=C=S)([O]1CC5)[O]=C(O2)C.OC.OC.OC.OC
• Title of publication: Synthesis, structure, and magnetic properties of dicopper and tricobalt complexes based on N-(2-pyridylmethyl)iminodiethanol
• Authors of publication: Shin, Jong Won; Jeong, Ah Rim; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 8
• Pages of publication: 763
• a: 26.164 ± 0.005 Å
• b: 10.106 ± 0.002 Å
• c: 19.468 ± 0.004 Å
• α: 90°
• β: 125.82 ± 0.03°
• γ: 90°
• Cell volume: 4174 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0711
• Weighted residual factors for significantly intense reflections: 0.222
• Weighted residual factors for all reflections included in the refinement: 0.2345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.70001 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No