Information card for entry 7021228

Structure parameters

• Formula: C85 H87 Co2 F18 N12 O10 P3
• Calculated formula: C85 H87 Co2 F18 N12 O10 P3
• SMILES: [Co]12345[OH][Co]6789[n]%10ccccc%10c%10[n]6c(cc(c%10)c6ccccc6OCCCCNC(=O)c6ccc([n]9c6)c6[n]8[n]4c(c4[n]5cc(cc4)C(=O)NCCCCOc4c(c5cc([n]2c(c5)c2[n]3cccc2)c2[n]1cccc2)cccc4)c1ccccc61)c1[n]7cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C.O=C(C)C
• Title of publication: New ternary ligands consisting of an N4 bridging ligand and two terpyridines, and their Co(ii) and Ni(ii) dinuclear complexes. Structure, redox properties, and reaction with acid.
• Authors of publication: Kon, Hiroki; Nagata, Toshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 16
• Pages of publication: 5697 - 5705
• a: 19.817 ± 0.003 Å
• b: 23.206 ± 0.003 Å
• c: 19.702 ± 0.003 Å
• α: 90°
• β: 93.0735 ± 0.0016°
• γ: 90°
• Cell volume: 9047 ± 2 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No